2-[(2-bromophenyl)methyl]-6-[4-(3,3-diphenylpropyl)piperazin-1-yl]-3H-isoindol-1-one

Systemtic Name: 2-[(2-bromophenyl)methyl]-6-[4-(3,3-diphenylpropyl)piperazin-1-yl]-3H-isoindol-1-one Openeye Name: 2-[(2-bromophenyl)methyl]-6-[4-(3,3-diphenylpropyl)piperazin-1-yl]isoindolin-1-one CAS Name: 2-[(2-bromophenyl)methyl]-6-[4-(3,3-diphenylpropyl)-1-piperazinyl]-3H-isoindol-1-one IUPAC Name: 2-[(2-bromophenyl)methyl]-6-[4-(3,3-diphenylpropyl)piperazin-1-yl]-3H-isoindol-1-one Traditional Name: 2-(2-bromobenzyl)-6-[4-(3,3-diphenylpropyl)piperazino]isoindolin-1-one Formula: C34H34BrN3O MolecularWeight: 580.55726

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC5=C(CN(C5=O)CC6=CC=CC=C6Br)C=C4

Isomeric SMILES

C1CN(CCN1CCC(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC5=C(CN(C5=O)CC6=CC=CC=C6Br)C=C4

InChI

InChI=1S/C34H34BrN3O/c35-33-14-8-7-13-29(33)25-38-24-28-15-16-30(23-32(28)34(38)39)37-21-19-36(20-22-37)18-17-31(26-9-3-1-4-10-26)27-11-5-2-6-12-27/h1-16,23,31H,17-22,24-25H2