6809142 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 29 8 8 7 7 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 4 4 4 5 5 5 6 7 8 8 9 9 10 10 11 11 12 13 14 14 15 15 16 16 17 17 18 18 19 19 20 20 21 21 22 22 23 23 24 25 26 26 27 27 28 28 29 29 30 30 31 31 32 32 33 33 34 35 36 36 37 37 38 39 2 3 4 5 10 11 6 8 40 7 9 41 13 12 18 20 19 21 12 16 13 17 14 15 22 26 23 27 24 42 25 43 28 44 29 45 30 46 31 47 24 32 25 33 48 49 36 50 37 51 34 52 35 53 34 54 35 55 38 56 39 57 58 59 38 60 39 61 62 63 6 6 6 6 2 2 1 1 1 1 1 1 2 2 2 1 2 1 1 1 1 1 1 1 1 2 1 2 2 1 2 1 1 1 1 1 2 1 2 1 1 2 1 2 1 1 1 1 1 1 2 1 2 1 1 1 1 1 1 1 1 1 1 1 2 1 2 1 1 1 6 -1 4 13 11 15 3 1 7 -1 5 12 10 14 3 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 5.866 5 6.732 5 6.732 5 6.732 4 7.732 5 6.732 5.866 5.866 5.8821 5.85 4.09 7.642 3.5 8.232 3.5 8.232 4.984 6.748 4.082 7.6501 6.834 4.898 2.5 9.232 2.5 9.232 4.9757 6.7564 2 9.732 6.8507 4.8813 5.9153 5.8167 4.525 7.207 3.5567 8.1754 3.81 7.922 3.81 7.922 3.5438 8.1882 7.3649 4.3672 2.19 9.542 2.19 9.542 4.4376 7.2945 1.38 10.3521 7.3912 4.3408 5.9177 5.8143 -0 0.5 -0.5 -0.5 0.5 -1.5 1.5 -0.5 0.5 1.5 -1.5 2 -2 3.0415 -3.0415 2.0068 -2.0068 0.366 -0.366 -1.366 1.366 3.5693 -3.5693 3.0484 -3.0484 3.5621 -3.5621 0.366 -0.366 -1.366 1.366 4.6542 -4.6542 -0.5 0.5 4.647 -4.647 5.1967 -5.1967 -0.1015 0.1015 1.6907 -1.6907 0.903 -0.903 -1.903 1.903 3.3564 -3.3564 3.2418 -3.2418 0.903 -0.903 -1.903 1.903 4.9622 -4.9622 -0.5 0.5 4.9508 -4.9508 5.8167 -5.8167 1 1 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 6 7 8 8 9 9 14 14 15 15 18 19 20 21 22 23 26 27 28 29 30 31 32 33 36 37 13 12 18 20 19 21 22 26 23 27 28 29 30 31 32 33 36 37 34 35 34 35 38 39 38 39 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 870 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 6 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E07FB0000000000400000000000000000000000000003060C1820000000000815400001E00180000000C0C81980030C080620000A803A47240009204002002001888012064D80820B280959180200060980008C9871888808E80000000001000000000000000200000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 copper;1-(phenylhydrazono)naphthalen-2-one IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 copper;1-(phenylhydrazinylidene)-2-naphthalenone IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 copper;1-(phenylhydrazinylidene)naphthalen-2-one IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 copper;1-(phenylhydrazinylidene)naphthalen-2-one IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 copper;1-(phenylhydrazinylidene)naphthalen-2-one IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 copper;1-(phenylhydrazono)naphthalen-2-one InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/2C16H12N2O.Cu/c2*19-15-11-10-12-6-4-5-9-14(12)16(15)18-17-13-7-2-1-3-8-13;/h2*1-11,17H; InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 ZAIPHRIQKYVVIJ-UHFFFAOYSA-N Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 559.119523 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C32H24CuN4O2 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 560.1 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC=C(C=C1)NN=C2C(=O)C=CC3=CC=CC=C32.C1=CC=C(C=C1)NN=C2C(=O)C=CC3=CC=CC=C32.[Cu] SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC=C(C=C1)NN=C2C(=O)C=CC3=CC=CC=C32.C1=CC=C(C=C1)NN=C2C(=O)C=CC3=CC=CC=C32.[Cu] Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 82.9 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 559.119523 39 0 0 0 2 0 2 0 3 -1