4-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]carbonyl-3-(1H-indol-3-yl)-2-methyl-3,4-dihydroisoquinolin-1-one

Systemtic Name: 4-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]carbonyl-3-(1H-indol-3-yl)-2-methyl-3,4-dihydroisoquinolin-1-one Openeye Name: 4-[4-(5-chloro-2-methyl-phenyl)piperazine-1-carbonyl]-3-(1H-indol-3-yl)-2-methyl-3,4-dihydroisoquinolin-1-one CAS Name: 4-[[4-(5-chloro-2-methylphenyl)-1-piperazinyl]-oxomethyl]-3-(1H-indol-3-yl)-2-methyl-3,4-dihydroisoquinolin-1-one IUPAC Name: 4-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-3-(1H-indol-3-yl)-2-methyl-3,4-dihydroisoquinolin-1-one Traditional Name: 4-[4-(5-chloro-2-methyl-phenyl)piperazine-1-carbonyl]-3-(1H-indol-3-yl)-2-methyl-3,4-dihydroisocarbostyril Formula: C30H29ClN4O2 MolecularWeight: 513.02986

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=O)C3C(N(C(=O)C4=CC=CC=C34)C)C5=CNC6=CC=CC=C65

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=O)C3C(N(C(=O)C4=CC=CC=C34)C)C5=CNC6=CC=CC=C65

InChI

InChI=1S/C30H29ClN4O2/c1-19-11-12-20(31)17-26(19)34-13-15-35(16-14-34)30(37)27-22-8-3-4-9-23(22)29(36)33(2)28(27)24-18-32-25-10-6-5-7-21(24)25/h3-12,17-18,27-28,32H,13-16H2,1-2H3