56642992 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 8 8 8 8 7 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 2 3 3 4 5 5 5 6 6 6 7 8 8 8 9 9 12 12 13 13 14 14 15 15 16 16 17 17 18 19 20 21 21 22 22 23 24 24 25 25 26 27 27 27 10 11 20 25 19 7 19 28 7 10 12 11 9 10 13 11 14 15 16 17 29 18 30 21 31 22 32 18 33 34 20 24 23 35 23 36 37 26 38 26 27 39 40 41 42 2 2 1 1 2 1 1 1 2 1 1 1 1 1 2 1 2 2 1 1 1 1 1 1 1 2 1 2 1 1 1 2 2 1 1 1 1 1 1 2 1 1 1 1 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 7.1753 7.1753 3.6636 6.3092 5.4432 6.3092 6.3092 8.0413 8.0413 7.1753 7.1753 5.4432 8.9352 8.9352 4.5772 5.4432 9.8413 9.8413 5.4432 4.5772 3.7112 4.5772 3.7112 4.4727 2.9945 3.4945 2 4.9063 8.9281 8.9281 4.5772 5.9802 10.377 10.377 3.1742 4.5772 3.1742 4.9334 3.2424 2.0648 1.3834 1.9352 2.6012 -1.3988 -1.4921 -1.8988 -0.3988 1.1012 0.1012 1.1012 0.1012 1.6012 -0.3988 1.6012 1.6359 -0.4334 1.1012 2.6012 1.122 0.0804 -1.3988 -1.8988 1.6012 3.1012 2.6012 -2.8933 -2.2352 -3.1012 -2.1307 -0.0888 2.2558 -1.0534 0.4812 2.9112 1.4341 -0.2317 1.2912 3.7212 2.9112 -3.3082 -3.6676 -1.5141 -2.0659 -2.7473 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 3 3 8 8 9 12 12 13 14 15 16 17 20 21 22 24 25 20 25 9 13 14 15 16 17 18 21 22 18 24 23 23 26 26 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 661 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371C07A380000000000000000000000000000012000000030608000000000000081D000001E00100000000C0C819800320482C004408802A5525002820800242000088801C60CC80E263284B53F873928E4C41198A9C7999FC2EE80000000001000000000000000200000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-(1,4-dioxo-3-phenyl-2-naphthyl)-5-methyl-furan-2-carboxamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-(1,4-dioxo-3-phenyl-2-naphthalenyl)-5-methyl-2-furancarboxamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 <I>N</I>-(1,4-dioxo-3-phenylnaphthalen-2-yl)-5-methylfuran-2-carboxamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-(1,4-dioxo-3-phenylnaphthalen-2-yl)-5-methylfuran-2-carboxamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[1,4-bis(oxidanylidene)-3-phenyl-naphthalen-2-yl]-5-methyl-furan-2-carboxamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-(1,4-diketo-3-phenyl-2-naphthyl)-5-methyl-2-furamide InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C22H15NO4/c1-13-11-12-17(27-13)22(26)23-19-18(14-7-3-2-4-8-14)20(24)15-9-5-6-10-16(15)21(19)25/h2-12H,1H3,(H,23,26) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 GTKNPIPEWJVANP-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 3.9 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 357.10010796 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C22H15NO4 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 357.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC1=CC=C(O1)C(=O)NC2=C(C(=O)C3=CC=CC=C3C2=O)C4=CC=CC=C4 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC1=CC=C(O1)C(=O)NC2=C(C(=O)C3=CC=CC=C3C2=O)C4=CC=CC=C4 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 76.4 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 357.10010796 27 0 0 0 0 0 0 0 1 -1