2-[4-[4-[(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]butyl]isoindole-1,3-dione

Systemtic Name: 2-[4-[4-[(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]butyl]isoindole-1,3-dione Openeye Name: 2-[4-[4-[(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]butyl]isoindoline-1,3-dione CAS Name: 2-[4-[4-[(4-chlorophenyl)-phenylmethyl]-1-piperazinyl]butyl]isoindole-1,3-dione IUPAC Name: 2-[4-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]butyl]isoindole-1,3-dione Traditional Name: 2-[4-[4-[(4-chlorophenyl)-phenyl-methyl]piperazino]butyl]isoindoline-1,3-quinone Formula: C29H30ClN3O2 MolecularWeight: 488.0204

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCCN2C(=O)C3=CC=CC=C3C2=O)C(C4=CC=CC=C4)C5=CC=C(C=C5)Cl

Isomeric SMILES

C1CN(CCN1CCCCN2C(=O)C3=CC=CC=C3C2=O)C(C4=CC=CC=C4)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C29H30ClN3O2/c30-24-14-12-23(13-15-24)27(22-8-2-1-3-9-22)32-20-18-31(19-21-32)16-6-7-17-33-28(34)25-10-4-5-11-26(25)29(33)35/h1-5,8-15,27H,6-7,16-21H2