50936059 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 2 3 4 4 5 5 6 6 7 7 8 8 8 9 9 9 10 10 11 11 12 13 14 14 15 15 16 16 17 17 18 18 19 19 20 21 22 23 24 24 25 25 26 27 28 28 29 29 30 30 31 31 32 32 33 33 34 34 35 35 36 36 37 37 38 39 20 21 6 12 7 13 28 52 29 53 10 12 14 11 13 15 16 18 17 19 20 21 24 40 25 41 22 42 23 43 26 44 27 45 22 23 46 47 26 48 27 49 50 51 30 32 31 33 34 54 35 55 36 56 37 57 38 58 39 59 38 60 39 61 62 63 2 2 1 2 1 2 1 1 1 1 1 1 2 1 1 2 1 2 1 2 1 1 1 1 1 1 2 1 2 1 1 1 1 1 1 1 1 1 2 1 2 1 1 1 2 1 2 1 1 1 1 1 2 1 2 1 2 1 2 1 1 1 1 1 1 1 4 -1 6 12 8 20 3 1 5 -1 7 13 9 21 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 9.9735 0.5369 8.0275 2.269 9.7596 1.403 8.8935 3.135 10.6256 3.135 10.6256 2.269 9.7596 4.029 11.5195 2.269 9.7596 4.029 11.5195 1.403 8.8935 1.403 8.8935 4.935 12.4256 4.935 12.4256 1.403 8.8935 2.269 9.7596 0.5369 8.0275 2.269 9.7596 0.5369 8.0275 1.403 8.8935 4.0218 11.5124 2.269 9.7596 4.0218 11.5124 0.866 8.3566 5.4708 12.9613 5.4708 12.9613 0.866 8.3566 2.8059 10.2965 0 7.4906 2.8059 10.2965 0 7.4906 1.403 8.8935 0 6.3824 7.6448 5.3824 6.6448 4.8824 6.1448 6.8824 8.1448 7.8824 9.1448 6.3824 7.6448 6.3477 7.6101 8.3824 9.6448 8.417 9.6794 6.8824 8.1448 7.8824 9.1448 6.8616 8.124 7.9032 9.1656 3.8824 5.1448 3.3824 4.6448 3.3824 4.6448 2.3824 3.6448 2.3824 3.6448 1.8824 3.1448 5.7278 6.9902 9.0024 10.2648 9.037 10.2994 8.1924 9.4548 6.5495 7.8119 8.2153 9.4777 5.1924 6.4548 3.6924 4.9548 3.6924 4.9548 2.0724 3.3348 2.0724 3.3348 1.2624 2.5248 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 4 5 8 8 9 9 10 11 14 15 18 19 24 25 28 28 29 29 30 31 32 33 34 35 36 37 12 13 10 14 11 15 18 19 24 25 26 27 26 27 30 32 31 33 34 35 36 37 38 39 38 39 0 Compound Canonicalized 5 2011.01.31 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 394 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 6 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E07FB0000000000400000000000000000000000000003060C1820000000000815400001E00180000000C0C81980030C080620000A803A47240009204002002001888012064D80820B280959180200060980008C9871888808E80000000001000000000000000200000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 copper;1-(phenylhydrazono)naphthalen-2-one IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 copper;1-(phenylhydrazinylidene)-2-naphthalenone IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 copper;1-(phenylhydrazinylidene)naphthalen-2-one IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 copper;1-(phenylhydrazinylidene)naphthalen-2-one IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 copper;1-(phenylhydrazinylidene)naphthalen-2-one IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 copper;1-(phenylhydrazono)naphthalen-2-one InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 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 1.0.5 InChI iupac.org 2019.06.18 ZAIPHRIQKYVVIJ-UHFFFAOYSA-N Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 559.119523 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C32H24CuN4O2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 560.1 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 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 2.1.5 OEChem openeye.com 2019.06.18 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 3.4.6.11 Cactvs xemistry.com 2019.06.18 82.9 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 559.119523 39 0 0 0 2 0 2 0 3 -1