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

Systemtic Name: 3-[4-(3,3-diphenylpropyl)piperazin-1-yl]-2-[(3-nitrophenyl)methyl]-3H-isoindol-1-one Openeye Name: 3-[4-(3,3-diphenylpropyl)piperazin-1-yl]-2-[(3-nitrophenyl)methyl]isoindolin-1-one CAS Name: 3-[4-(3,3-diphenylpropyl)-1-piperazinyl]-2-[(3-nitrophenyl)methyl]-3H-isoindol-1-one IUPAC Name: 3-[4-(3,3-diphenylpropyl)piperazin-1-yl]-2-[(3-nitrophenyl)methyl]-3H-isoindol-1-one Traditional Name: 3-[4-(3,3-diphenylpropyl)piperazino]-2-(3-nitrobenzyl)isoindolin-1-one Formula: C34H34N4O3 MolecularWeight: 546.65876

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC(C2=CC=CC=C2)C3=CC=CC=C3)C4C5=CC=CC=C5C(=O)N4CC6=CC(=CC=C6)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CCC(C2=CC=CC=C2)C3=CC=CC=C3)C4C5=CC=CC=C5C(=O)N4CC6=CC(=CC=C6)[N+](=O)[O-]

InChI

InChI=1S/C34H34N4O3/c39-34-32-17-8-7-16-31(32)33(37(34)25-26-10-9-15-29(24-26)38(40)41)36-22-20-35(21-23-36)19-18-30(27-11-3-1-4-12-27)28-13-5-2-6-14-28/h1-17,24,30,33H,18-23,25H2