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

Systemtic Name: 6-[4-(3,3-diphenylpropyl)piperazin-1-yl]-2-[(3-nitrophenyl)methyl]-3H-isoindol-1-one Openeye Name: 6-[4-(3,3-diphenylpropyl)piperazin-1-yl]-2-[(3-nitrophenyl)methyl]isoindolin-1-one CAS Name: 6-[4-(3,3-diphenylpropyl)-1-piperazinyl]-2-[(3-nitrophenyl)methyl]-3H-isoindol-1-one IUPAC Name: 6-[4-(3,3-diphenylpropyl)piperazin-1-yl]-2-[(3-nitrophenyl)methyl]-3H-isoindol-1-one Traditional Name: 6-[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)C4=CC5=C(CN(C5=O)CC6=CC(=CC=C6)[N+](=O)[O-])C=C4

Isomeric SMILES

C1CN(CCN1CCC(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC5=C(CN(C5=O)CC6=CC(=CC=C6)[N+](=O)[O-])C=C4

InChI

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