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

Systemtic Name: 3-(1H-indol-3-yl)-2-methyl-4-[4-(phenylmethyl)piperazin-1-yl]carbonyl-3,4-dihydroisoquinolin-1-one Openeye Name: 4-(4-benzylpiperazine-1-carbonyl)-3-(1H-indol-3-yl)-2-methyl-3,4-dihydroisoquinolin-1-one CAS Name: 3-(1H-indol-3-yl)-2-methyl-4-[oxo-[4-(phenylmethyl)-1-piperazinyl]methyl]-3,4-dihydroisoquinolin-1-one IUPAC Name: 4-(4-benzylpiperazine-1-carbonyl)-3-(1H-indol-3-yl)-2-methyl-3,4-dihydroisoquinolin-1-one Traditional Name: 4-(4-benzylpiperazine-1-carbonyl)-3-(1H-indol-3-yl)-2-methyl-3,4-dihydroisocarbostyril Formula: C30H30N4O2 MolecularWeight: 478.5848

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(C(C2=CC=CC=C2C1=O)C(=O)N3CCN(CC3)CC4=CC=CC=C4)C5=CNC6=CC=CC=C65

Isomeric SMILES

CN1C(C(C2=CC=CC=C2C1=O)C(=O)N3CCN(CC3)CC4=CC=CC=C4)C5=CNC6=CC=CC=C65

InChI

InChI=1S/C30H30N4O2/c1-32-28(25-19-31-26-14-8-7-11-22(25)26)27(23-12-5-6-13-24(23)29(32)35)30(36)34-17-15-33(16-18-34)20-21-9-3-2-4-10-21/h2-14,19,27-28,31H,15-18,20H2,1H3