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

Systemtic Name: 2-[3-(4-phenylpiperazin-1-yl)carbonylphenyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione Openeye Name: 2-[3-(4-phenylpiperazine-1-carbonyl)phenyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione CAS Name: 2-[3-[oxo-(4-phenyl-1-piperazinyl)methyl]phenyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione IUPAC Name: 2-[3-(4-phenylpiperazine-1-carbonyl)phenyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione Traditional Name: 2-[3-(4-phenylpiperazine-1-carbonyl)phenyl]-3a,4,7,7a-tetrahydroisoindole-1,3-quinone Formula: C25H25N3O3 MolecularWeight: 415.4843

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)C3=CC(=CC=C3)N4C(=O)C5CC=CCC5C4=O

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)C3=CC(=CC=C3)N4C(=O)C5CC=CCC5C4=O

InChI

InChI=1S/C25H25N3O3/c29-23(27-15-13-26(14-16-27)19-8-2-1-3-9-19)18-7-6-10-20(17-18)28-24(30)21-11-4-5-12-22(21)25(28)31/h1-10,17,21-22H,11-16H2