1-(4-chlorophenyl)-3-[4-(4-pyridin-3-ylcarbonylphenyl)piperazin-1-yl]pyrrole-2,5-dione

Systemtic Name: 1-(4-chlorophenyl)-3-[4-(4-pyridin-3-ylcarbonylphenyl)piperazin-1-yl]pyrrole-2,5-dione Openeye Name: 1-(4-chlorophenyl)-3-[4-[4-(pyridine-3-carbonyl)phenyl]piperazin-1-yl]pyrrole-2,5-dione CAS Name: 1-(4-chlorophenyl)-3-[4-[4-[oxo(3-pyridinyl)methyl]phenyl]-1-piperazinyl]pyrrole-2,5-dione IUPAC Name: 1-(4-chlorophenyl)-3-[4-[4-(pyridine-3-carbonyl)phenyl]piperazin-1-yl]pyrrole-2,5-dione Traditional Name: 1-(4-chlorophenyl)-3-[4-(4-nicotinoylphenyl)piperazino]-3-pyrroline-2,5-quinone Formula: C26H21ClN4O3 MolecularWeight: 472.92294

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)C(=O)C3=CN=CC=C3)C4=CC(=O)N(C4=O)C5=CC=C(C=C5)Cl

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)C(=O)C3=CN=CC=C3)C4=CC(=O)N(C4=O)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C26H21ClN4O3/c27-20-5-9-22(10-6-20)31-24(32)16-23(26(31)34)30-14-12-29(13-15-30)21-7-3-18(4-8-21)25(33)19-2-1-11-28-17-19/h1-11,16-17H,12-15H2