7-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-(phenylmethyl)-3,4-dihydroisoquinolin-1-one

Systemtic Name: 7-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-(phenylmethyl)-3,4-dihydroisoquinolin-1-one Openeye Name: 2-benzyl-7-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-3,4-dihydroisoquinolin-1-one CAS Name: 7-[4-[(4-chlorophenyl)methyl]-1-piperazinyl]-2-(phenylmethyl)-3,4-dihydroisoquinolin-1-one IUPAC Name: 2-benzyl-7-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-3,4-dihydroisoquinolin-1-one Traditional Name: 2-benzyl-7-[4-(4-chlorobenzyl)piperazino]-3,4-dihydroisocarbostyril Formula: C27H28ClN3O MolecularWeight: 445.98372

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)C2=C1C=CC(=C2)N3CCN(CC3)CC4=CC=C(C=C4)Cl)CC5=CC=CC=C5

Isomeric SMILES

C1CN(C(=O)C2=C1C=CC(=C2)N3CCN(CC3)CC4=CC=C(C=C4)Cl)CC5=CC=CC=C5

InChI

InChI=1S/C27H28ClN3O/c28-24-9-6-22(7-10-24)19-29-14-16-30(17-15-29)25-11-8-23-12-13-31(27(32)26(23)18-25)20-21-4-2-1-3-5-21/h1-11,18H,12-17,19-20H2