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

Systemtic Name: 2-[2-[4-[(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]ethyl]isoindole-1,3-dione Openeye Name: 2-[2-[4-[(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]ethyl]isoindoline-1,3-dione CAS Name: 2-[2-[4-[(4-chlorophenyl)-phenylmethyl]-1-piperazinyl]ethyl]isoindole-1,3-dione IUPAC Name: 2-[2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethyl]isoindole-1,3-dione Traditional Name: 2-[2-[4-[(4-chlorophenyl)-phenyl-methyl]piperazino]ethyl]isoindoline-1,3-quinone Formula: C27H26ClN3O2 MolecularWeight: 459.96724

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCN2C(=O)C3=CC=CC=C3C2=O)C(C4=CC=CC=C4)C5=CC=C(C=C5)Cl

Isomeric SMILES

C1CN(CCN1CCN2C(=O)C3=CC=CC=C3C2=O)C(C4=CC=CC=C4)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C27H26ClN3O2/c28-22-12-10-21(11-13-22)25(20-6-2-1-3-7-20)30-17-14-29(15-18-30)16-19-31-26(32)23-8-4-5-9-24(23)27(31)33/h1-13,25H,14-19H2