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

Systemtic Name: 2-[3-nitro-4-(4-pyridin-2-ylpiperazin-1-yl)phenyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione Openeye Name: 2-[3-nitro-4-[4-(2-pyridyl)piperazin-1-yl]phenyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione CAS Name: 2-[3-nitro-4-[4-(2-pyridinyl)-1-piperazinyl]phenyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione IUPAC Name: 2-[3-nitro-4-(4-pyridin-2-ylpiperazin-1-yl)phenyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione Traditional Name: 2-[3-nitro-4-[4-(2-pyridyl)piperazino]phenyl]-3a,4,7,7a-tetrahydroisoindole-1,3-quinone Formula: C23H23N5O4 MolecularWeight: 433.45982

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)N3C(=O)C4CC=CCC4C3=O)[N+](=O)[O-])C5=CC=CC=N5

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)N3C(=O)C4CC=CCC4C3=O)[N+](=O)[O-])C5=CC=CC=N5

InChI

InChI=1S/C23H23N5O4/c29-22-17-5-1-2-6-18(17)23(30)27(22)16-8-9-19(20(15-16)28(31)32)25-11-13-26(14-12-25)21-7-3-4-10-24-21/h1-4,7-10,15,17-18H,5-6,11-14H2