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

Systemtic Name: 2-[(3-bromophenyl)methyl]-7-[4-(3,3-diphenylpropyl)piperazin-1-yl]-3,4-dihydroisoquinolin-1-one Openeye Name: 2-[(3-bromophenyl)methyl]-7-[4-(3,3-diphenylpropyl)piperazin-1-yl]-3,4-dihydroisoquinolin-1-one CAS Name: 2-[(3-bromophenyl)methyl]-7-[4-(3,3-diphenylpropyl)-1-piperazinyl]-3,4-dihydroisoquinolin-1-one IUPAC Name: 2-[(3-bromophenyl)methyl]-7-[4-(3,3-diphenylpropyl)piperazin-1-yl]-3,4-dihydroisoquinolin-1-one Traditional Name: 2-(3-bromobenzyl)-7-[4-(3,3-diphenylpropyl)piperazino]-3,4-dihydroisocarbostyril Formula: C35H36BrN3O MolecularWeight: 594.58384

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)C2=C1C=CC(=C2)N3CCN(CC3)CCC(C4=CC=CC=C4)C5=CC=CC=C5)CC6=CC(=CC=C6)Br

Isomeric SMILES

C1CN(C(=O)C2=C1C=CC(=C2)N3CCN(CC3)CCC(C4=CC=CC=C4)C5=CC=CC=C5)CC6=CC(=CC=C6)Br

InChI

InChI=1S/C35H36BrN3O/c36-31-13-7-8-27(24-31)26-39-19-16-30-14-15-32(25-34(30)35(39)40)38-22-20-37(21-23-38)18-17-33(28-9-3-1-4-10-28)29-11-5-2-6-12-29/h1-15,24-25,33H,16-23,26H2