70679551 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 8 8 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 3 3 4 4 4 5 5 5 6 6 6 7 7 8 9 9 10 10 12 12 13 13 14 15 15 16 16 17 19 19 20 20 21 21 22 23 23 24 24 25 25 26 26 27 14 18 8 11 28 11 35 36 18 40 41 7 8 9 10 13 14 11 18 12 15 16 19 17 29 20 21 30 17 31 32 22 33 23 24 22 34 37 25 38 26 39 27 42 27 43 44 2 2 1 1 1 1 1 1 1 1 1 1 2 1 1 2 1 2 1 1 2 1 2 1 1 1 1 1 2 1 1 1 1 2 1 2 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 43 44 5.2435 8.6521 5.3957 6.3662 8.292 6.5982 7.0981 5.6036 7.0048 7.9641 6.2617 7.9641 6.2321 4.9344 8.8581 7.0981 6.2321 7.983 8.8581 3.9563 9.7641 9.7641 3.6473 3.2872 2.6691 2.309 2 4.8293 5.6951 8.8509 7.0981 5.6951 8.8509 10.2999 5.8646 6.9326 10.2999 4.0622 3.4788 8.8984 7.8771 2.4775 1.8942 1.3936 1.6102 -0.3578 -1.0623 -2.5567 -2.052 0.0204 0.8865 -0.0841 -0.8931 1.3865 -1.5622 2.3865 1.3865 0.6591 0.8518 2.8865 2.3865 -1.101 2.9212 0.4512 1.3657 2.4073 -0.4999 1.1944 -0.7078 0.9864 0.0354 -1.3144 1.0765 0.2319 3.5065 2.6965 3.5411 1.0536 -2.9212 -2.8089 2.7194 -0.9606 1.784 -2.181 -2.5128 -1.2975 1.4472 -0.0935 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 3 3 6 6 7 7 9 10 10 12 12 13 15 16 19 20 20 21 23 24 25 26 8 11 8 9 10 13 11 12 15 16 19 17 21 17 22 23 24 22 25 26 27 27 0 Compound Canonicalized 5 2012.11.26 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 560 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 3 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 3 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07B30000000000000000000000000000001600000003060C0000000000000C1D400001E00100000000C0C819E0031B0D2C99000A803A7727400828029A70020089921A044D888207AC0D5B1842188608002C8C9E71C8BC0AE80000200001000000000040000200000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-amino-5-benzoyl-4-(1-naphthyl)-1H-pyrrole-3-carboxamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-amino-5-benzoyl-4-(1-naphthalenyl)-1H-pyrrole-3-carboxamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-amino-5-benzoyl-4-naphthalen-1-yl-1<I>H</I>-pyrrole-3-carboxamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-amino-5-benzoyl-4-naphthalen-1-yl-1H-pyrrole-3-carboxamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-azanyl-4-naphthalen-1-yl-5-(phenylcarbonyl)-1H-pyrrole-3-carboxamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-amino-5-benzoyl-4-(1-naphthyl)-1H-pyrrole-3-carboxamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C22H17N3O2/c23-21-18(22(24)27)17(16-12-6-10-13-7-4-5-11-15(13)16)19(25-21)20(26)14-8-2-1-3-9-14/h1-12,25H,23H2,(H2,24,27) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 PMIGMJVHADRWAD-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 4.3 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 355.132076794 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C22H17N3O2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 355.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1=CC=C(C=C1)C(=O)C2=C(C(=C(N2)N)C(=O)N)C3=CC=CC4=CC=CC=C43 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1=CC=C(C=C1)C(=O)C2=C(C(=C(N2)N)C(=O)N)C3=CC=CC4=CC=CC=C43 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 102 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 355.132076794 27 0 0 0 0 0 0 0 1 -1