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

Systemtic Name: 3-chloranyl-1-(4-methylphenyl)-4-[[2-methyl-5-(4-phenylpiperazin-1-yl)carbonyl-phenyl]amino]pyrrole-2,5-dione Openeye Name: 3-chloro-4-[2-methyl-5-(4-phenylpiperazine-1-carbonyl)anilino]-1-(p-tolyl)pyrrole-2,5-dione CAS Name: 3-chloro-4-[2-methyl-5-[oxo-(4-phenyl-1-piperazinyl)methyl]anilino]-1-(4-methylphenyl)pyrrole-2,5-dione IUPAC Name: 3-chloro-1-(4-methylphenyl)-4-[2-methyl-5-(4-phenylpiperazine-1-carbonyl)anilino]pyrrole-2,5-dione Traditional Name: 3-chloro-4-[2-methyl-5-(4-phenylpiperazine-1-carbonyl)anilino]-1-(p-tolyl)-3-pyrroline-2,5-quinone Formula: C29H27ClN4O3 MolecularWeight: 515.00268

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H27ClN4O3/c1-19-8-12-23(13-9-19)34-28(36)25(30)26(29(34)37)31-24-18-21(11-10-20(24)2)27(35)33-16-14-32(15-17-33)22-6-4-3-5-7-22/h3-13,18,31H,14-17H2,1-2H3