2-cyclopropyl-3-(3-methylphenyl)-4-[4-(phenylmethyl)piperazin-1-yl]carbonyl-3,4-dihydroisoquinolin-1-one

Systemtic Name: 2-cyclopropyl-3-(3-methylphenyl)-4-[4-(phenylmethyl)piperazin-1-yl]carbonyl-3,4-dihydroisoquinolin-1-one Openeye Name: 4-(4-benzylpiperazine-1-carbonyl)-2-cyclopropyl-3-(m-tolyl)-3,4-dihydroisoquinolin-1-one CAS Name: 2-cyclopropyl-3-(3-methylphenyl)-4-[oxo-[4-(phenylmethyl)-1-piperazinyl]methyl]-3,4-dihydroisoquinolin-1-one IUPAC Name: 4-(4-benzylpiperazine-1-carbonyl)-2-cyclopropyl-3-(3-methylphenyl)-3,4-dihydroisoquinolin-1-one Traditional Name: 4-(4-benzylpiperazine-1-carbonyl)-2-cyclopropyl-3-(m-tolyl)-3,4-dihydroisocarbostyril Formula: C31H33N3O2 MolecularWeight: 479.61262

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2C(C3=CC=CC=C3C(=O)N2C4CC4)C(=O)N5CCN(CC5)CC6=CC=CC=C6

Isomeric SMILES

CC1=CC=CC(=C1)C2C(C3=CC=CC=C3C(=O)N2C4CC4)C(=O)N5CCN(CC5)CC6=CC=CC=C6

InChI

InChI=1S/C31H33N3O2/c1-22-8-7-11-24(20-22)29-28(26-12-5-6-13-27(26)30(35)34(29)25-14-15-25)31(36)33-18-16-32(17-19-33)21-23-9-3-2-4-10-23/h2-13,20,25,28-29H,14-19,21H2,1H3