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

Systemtic Name: 3-(1H-indol-3-yl)-2-(2-methoxyethyl)-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-(2-methoxyethyl)-3,4-dihydroisoquinolin-1-one CAS Name: 3-(1H-indol-3-yl)-2-(2-methoxyethyl)-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-(2-methoxyethyl)-3,4-dihydroisoquinolin-1-one Traditional Name: 4-(4-benzylpiperazine-1-carbonyl)-3-(1H-indol-3-yl)-2-(2-methoxyethyl)-3,4-dihydroisocarbostyril Formula: C32H34N4O3 MolecularWeight: 522.63736

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C(C(C2=CC=CC=C2C1=O)C(=O)N3CCN(CC3)CC4=CC=CC=C4)C5=CNC6=CC=CC=C65

Isomeric SMILES

COCCN1C(C(C2=CC=CC=C2C1=O)C(=O)N3CCN(CC3)CC4=CC=CC=C4)C5=CNC6=CC=CC=C65

InChI

InChI=1S/C32H34N4O3/c1-39-20-19-36-30(27-21-33-28-14-8-7-11-24(27)28)29(25-12-5-6-13-26(25)31(36)37)32(38)35-17-15-34(16-18-35)22-23-9-3-2-4-10-23/h2-14,21,29-30,33H,15-20,22H2,1H3