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

Systemtic Name: 3-(1H-indol-3-yl)-2-methyl-4-[4-(phenylmethyl)piperidin-1-yl]carbonyl-3,4-dihydroisoquinolin-1-one Openeye Name: 4-(4-benzylpiperidine-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-piperidinyl]methyl]-3,4-dihydroisoquinolin-1-one IUPAC Name: 4-(4-benzylpiperidine-1-carbonyl)-3-(1H-indol-3-yl)-2-methyl-3,4-dihydroisoquinolin-1-one Traditional Name: 4-(4-benzylpiperidine-1-carbonyl)-3-(1H-indol-3-yl)-2-methyl-3,4-dihydroisocarbostyril Formula: C31H31N3O2 MolecularWeight: 477.59674

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(C(C2=CC=CC=C2C1=O)C(=O)N3CCC(CC3)CC4=CC=CC=C4)C5=CNC6=CC=CC=C65

Isomeric SMILES

CN1C(C(C2=CC=CC=C2C1=O)C(=O)N3CCC(CC3)CC4=CC=CC=C4)C5=CNC6=CC=CC=C65

InChI

InChI=1S/C31H31N3O2/c1-33-29(26-20-32-27-14-8-7-11-23(26)27)28(24-12-5-6-13-25(24)30(33)35)31(36)34-17-15-22(16-18-34)19-21-9-3-2-4-10-21/h2-14,20,22,28-29,32H,15-19H2,1H3