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

Systemtic Name: 4-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]carbonyl-2-methyl-3-(1-methylindol-3-yl)-3,4-dihydroisoquinolin-1-one Openeye Name: 4-[4-(5-chloro-2-methyl-phenyl)piperazine-1-carbonyl]-2-methyl-3-(1-methylindol-3-yl)-3,4-dihydroisoquinolin-1-one CAS Name: 4-[[4-(5-chloro-2-methylphenyl)-1-piperazinyl]-oxomethyl]-2-methyl-3-(1-methyl-3-indolyl)-3,4-dihydroisoquinolin-1-one IUPAC Name: 4-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-2-methyl-3-(1-methylindol-3-yl)-3,4-dihydroisoquinolin-1-one Traditional Name: 4-[4-(5-chloro-2-methyl-phenyl)piperazine-1-carbonyl]-2-methyl-3-(1-methylindol-3-yl)-3,4-dihydroisocarbostyril Formula: C31H31ClN4O2 MolecularWeight: 527.05644

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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=CN(C6=CC=CC=C65)C

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=O)C3C(N(C(=O)C4=CC=CC=C34)C)C5=CN(C6=CC=CC=C65)C

InChI

InChI=1S/C31H31ClN4O2/c1-20-12-13-21(32)18-27(20)35-14-16-36(17-15-35)31(38)28-23-9-4-5-10-24(23)30(37)34(3)29(28)25-19-33(2)26-11-7-6-8-22(25)26/h4-13,18-19,28-29H,14-17H2,1-3H3