49795619 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 8 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 3 3 4 4 4 4 5 5 6 6 6 8 9 9 9 10 10 11 11 12 12 13 13 14 15 15 16 16 17 17 18 18 19 19 20 21 21 22 23 23 24 24 25 26 26 7 7 8 32 22 25 5 6 7 9 8 10 11 27 28 12 29 30 31 13 33 15 16 14 34 14 17 35 18 36 19 37 21 22 20 38 20 39 23 24 40 41 26 42 25 43 44 45 46 2 1 1 1 1 2 1 1 1 1 2 1 1 1 1 1 1 1 1 2 1 2 1 2 1 1 1 1 1 1 2 1 1 2 2 1 1 1 1 2 1 1 2 1 1 1 1 1 1 4 5 6 7 9 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 8.86 7.2764 2.866 7.2764 6.3301 8.0864 7.86 6.3301 6.969 5.4641 7.9836 5.4641 4.5981 4.5981 8.7936 7.0707 3.732 8.6908 6.9679 7.778 2.866 3.732 7.6752 2 2 8.4852 8.3572 8.6827 7.559 6.7784 6.379 7.469 5.4641 5.4641 4.0611 9.3596 6.5685 9.193 6.402 2.866 4.269 7.1092 1.4631 1.4631 9.0511 8.4214 -2.2811 -3.0859 0.2189 -1.4764 -1.7811 -0.89 -2.2811 -2.7811 -0.5248 -1.2811 0.1047 -3.2811 -1.7811 -2.7811 0.6911 0.513 -1.2811 1.6858 1.5077 2.0941 -1.7811 -0.2811 3.0888 -1.2811 -0.2811 3.6752 -1.4477 -0.7201 -0.3342 0.0652 -0.7154 -3.6752 -0.6611 -3.9011 -3.0911 0.4379 0.1495 2.0493 1.7609 -2.4011 0.0289 3.342 -1.5911 0.0289 3.422 4.2919 8 8 3 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 3 3 4 5 5 8 10 11 11 12 13 15 16 17 17 18 19 21 24 22 25 9 8 10 12 13 15 16 14 14 18 19 21 22 20 20 24 25 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 524 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 2 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 1 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 00000371E07B20000000000000000000000000000001600000003C608000000000005801D000001E00100000000E08C19A043EC092C81000A8023577540082802031022008D8213864980820F2C09591842008609400C8C8071C88C08FC8000200000200009000040000040000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-methyl-5-(3-pyridyl)-3-[(4-vinylphenyl)methyl]indolin-2-one IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-[(4-ethenylphenyl)methyl]-3-methyl-5-(3-pyridinyl)-1H-indol-2-one IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-[(4-ethenylphenyl)methyl]-3-methyl-5-pyridin-3-yl-1<I>H</I>-indol-2-one IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-[(4-ethenylphenyl)methyl]-3-methyl-5-pyridin-3-yl-1H-indol-2-one IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-[(4-ethenylphenyl)methyl]-3-methyl-5-pyridin-3-yl-1H-indol-2-one IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-methyl-5-(3-pyridyl)-3-(4-vinylbenzyl)oxindole InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C23H20N2O/c1-3-16-6-8-17(9-7-16)14-23(2)20-13-18(19-5-4-12-24-15-19)10-11-21(20)25-22(23)26/h3-13,15H,1,14H2,2H3,(H,25,26) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 GAJNOWCKJOZNRQ-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 4.5 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 340.157563266 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C23H20N2O Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 340.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC1(C2=C(C=CC(=C2)C3=CN=CC=C3)NC1=O)CC4=CC=C(C=C4)C=C SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC1(C2=C(C=CC(=C2)C3=CN=CC=C3)NC1=O)CC4=CC=C(C=C4)C=C Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 42 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 340.157563266 26 1 0 1 0 0 0 0 1 -1