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

Systemtic Name: 2-[3-nitro-4-(4-phenylpiperazin-1-yl)phenyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione Openeye Name: 2-[3-nitro-4-(4-phenylpiperazin-1-yl)phenyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione CAS Name: 2-[3-nitro-4-(4-phenyl-1-piperazinyl)phenyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione IUPAC Name: 2-[3-nitro-4-(4-phenylpiperazin-1-yl)phenyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione Traditional Name: 2-[3-nitro-4-(4-phenylpiperazino)phenyl]-3a,4,7,7a-tetrahydroisoindole-1,3-quinone Formula: C24H24N4O4 MolecularWeight: 432.47176

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C3=C(C=C(C=C3)N4C(=O)C5CC=CCC5C4=O)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C3=C(C=C(C=C3)N4C(=O)C5CC=CCC5C4=O)[N+](=O)[O-]

InChI

InChI=1S/C24H24N4O4/c29-23-19-8-4-5-9-20(19)24(30)27(23)18-10-11-21(22(16-18)28(31)32)26-14-12-25(13-15-26)17-6-2-1-3-7-17/h1-7,10-11,16,19-20H,8-9,12-15H2