2-[3-(4-phenylpiperazin-1-yl)propyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione

Systemtic Name: 2-[3-(4-phenylpiperazin-1-yl)propyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione Openeye Name: 2-[3-(4-phenylpiperazin-1-yl)propyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione CAS Name: 2-[3-(4-phenyl-1-piperazinyl)propyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione IUPAC Name: 2-[3-(4-phenylpiperazin-1-yl)propyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione Traditional Name: 2-[3-(4-phenylpiperazino)propyl]-3a,4,7,7a-tetrahydroisoindole-1,3-quinone Formula: C21H27N3O2 MolecularWeight: 353.45798

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCN2C(=O)C3CC=CCC3C2=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1CCCN2C(=O)C3CC=CCC3C2=O)C4=CC=CC=C4

InChI

InChI=1S/C21H27N3O2/c25-20-18-9-4-5-10-19(18)21(26)24(20)12-6-11-22-13-15-23(16-14-22)17-7-2-1-3-8-17/h1-5,7-8,18-19H,6,9-16H2