2-[4-[4-(2-phenylphenyl)piperazin-1-yl]butyl]isoindole-1,3-dione

Systemtic Name: 2-[4-[4-(2-phenylphenyl)piperazin-1-yl]butyl]isoindole-1,3-dione Openeye Name: 2-[4-[4-(2-phenylphenyl)piperazin-1-yl]butyl]isoindoline-1,3-dione CAS Name: 2-[4-[4-(2-phenylphenyl)-1-piperazinyl]butyl]isoindole-1,3-dione IUPAC Name: 2-[4-[4-(2-phenylphenyl)piperazin-1-yl]butyl]isoindole-1,3-dione Traditional Name: 2-[4-[4-(2-phenylphenyl)piperazino]butyl]isoindoline-1,3-quinone Formula: C28H29N3O2 MolecularWeight: 439.54876

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCCN2C(=O)C3=CC=CC=C3C2=O)C4=CC=CC=C4C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CCCCN2C(=O)C3=CC=CC=C3C2=O)C4=CC=CC=C4C5=CC=CC=C5

InChI

InChI=1S/C28H29N3O2/c32-27-24-13-4-5-14-25(24)28(33)31(27)17-9-8-16-29-18-20-30(21-19-29)26-15-7-6-12-23(26)22-10-2-1-3-11-22/h1-7,10-15H,8-9,16-21H2