44564417 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 7 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 2 3 4 4 4 5 5 5 6 7 7 7 8 8 11 11 12 12 13 13 14 14 15 15 16 16 17 18 19 19 20 20 21 21 22 23 23 24 24 25 25 26 26 27 9 10 18 6 18 30 6 9 11 10 8 9 12 10 13 14 15 16 28 17 29 20 31 21 32 17 33 34 19 23 24 22 35 22 36 37 25 38 26 39 27 40 27 41 42 2 2 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 1 2 1 1 1 1 1 1 2 1 2 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 6.3301 6.3301 5.4641 4.5981 5.4641 5.4641 7.1962 7.1962 6.3301 6.3301 4.5981 8.0901 8.0901 4.5981 3.732 8.9962 8.9962 4.5981 3.732 3.732 2.866 2.866 3.732 2.866 2.866 2 2 8.0829 8.0829 4.0611 5.135 3.732 9.5319 9.5319 3.732 2.3291 2.3291 4.269 2.866 2.866 1.4631 1.4631 2.75 -1.25 -1.75 -0.25 1.25 0.25 1.25 0.25 1.75 -0.25 1.75 1.7847 -0.2847 2.75 1.25 1.2708 0.2292 -1.25 -1.75 3.25 1.75 2.75 -2.75 -1.25 -3.25 -1.75 -2.75 2.4046 -0.9046 0.06 3.06 0.63 1.5829 -0.0829 3.87 1.44 3.06 -3.06 -0.63 -3.87 -1.44 -3.06 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 7 7 8 11 11 12 13 14 15 16 19 19 20 21 23 24 25 26 8 12 13 14 15 16 17 20 21 17 23 24 22 22 25 26 27 27 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 638 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 3 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 00000371C07A30000000000000000000000000000000000000003060C1000000000000815000001E00100000000C0C819800300082C000008802A55250008200002400000888018004C80820328095318421086084008889C71989C08E80000000001000000000000000200000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-(1,4-dioxo-3-phenyl-2-naphthyl)benzamide 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)benzamide 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)benzamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-(1,4-dioxo-3-phenylnaphthalen-2-yl)benzamide 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]benzamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-(1,4-diketo-3-phenyl-2-naphthyl)benzamide InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C23H15NO3/c25-21-17-13-7-8-14-18(17)22(26)20(19(21)15-9-3-1-4-10-15)24-23(27)16-11-5-2-6-12-16/h1-14H,(H,24,27) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 USUCAZIRMCQLIM-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 4.1 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 353.10519334 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C23H15NO3 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 353.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC=C(C=C1)C2=C(C(=O)C3=CC=CC=C3C2=O)NC(=O)C4=CC=CC=C4 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC=C(C=C1)C2=C(C(=O)C3=CC=CC=C3C2=O)NC(=O)C4=CC=CC=C4 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 63.2 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 353.10519334 27 0 0 0 0 0 0 0 1 -1