3-chloranyl-1-(4-methylphenyl)-4-[[4-(4-phenylpiperazin-1-yl)carbonylphenyl]amino]pyrrole-2,5-dione

Systemtic Name: 3-chloranyl-1-(4-methylphenyl)-4-[[4-(4-phenylpiperazin-1-yl)carbonylphenyl]amino]pyrrole-2,5-dione Openeye Name: 3-chloro-4-[4-(4-phenylpiperazine-1-carbonyl)anilino]-1-(p-tolyl)pyrrole-2,5-dione CAS Name: 3-chloro-1-(4-methylphenyl)-4-[4-[oxo-(4-phenyl-1-piperazinyl)methyl]anilino]pyrrole-2,5-dione IUPAC Name: 3-chloro-1-(4-methylphenyl)-4-[4-(4-phenylpiperazine-1-carbonyl)anilino]pyrrole-2,5-dione Traditional Name: 3-chloro-4-[4-(4-phenylpiperazine-1-carbonyl)anilino]-1-(p-tolyl)-3-pyrroline-2,5-quinone Formula: C28H25ClN4O3 MolecularWeight: 500.9761

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C(=C(C2=O)Cl)NC3=CC=C(C=C3)C(=O)N4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)C(=C(C2=O)Cl)NC3=CC=C(C=C3)C(=O)N4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C28H25ClN4O3/c1-19-7-13-23(14-8-19)33-27(35)24(29)25(28(33)36)30-21-11-9-20(10-12-21)26(34)32-17-15-31(16-18-32)22-5-3-2-4-6-22/h2-14,30H,15-18H2,1H3