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

Systemtic Name: 3-chloranyl-1-cyclohexyl-4-[[2-methyl-5-(4-phenylpiperazin-1-yl)carbonyl-phenyl]amino]pyrrole-2,5-dione Openeye Name: 3-chloro-1-cyclohexyl-4-[2-methyl-5-(4-phenylpiperazine-1-carbonyl)anilino]pyrrole-2,5-dione CAS Name: 3-chloro-1-cyclohexyl-4-[2-methyl-5-[oxo-(4-phenyl-1-piperazinyl)methyl]anilino]pyrrole-2,5-dione IUPAC Name: 3-chloro-1-cyclohexyl-4-[2-methyl-5-(4-phenylpiperazine-1-carbonyl)anilino]pyrrole-2,5-dione Traditional Name: 3-chloro-1-cyclohexyl-4-[2-methyl-5-(4-phenylpiperazine-1-carbonyl)anilino]-3-pyrroline-2,5-quinone Formula: C28H31ClN4O3 MolecularWeight: 507.02374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=CC=CC=C3)NC4=C(C(=O)N(C4=O)C5CCCCC5)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=CC=CC=C3)NC4=C(C(=O)N(C4=O)C5CCCCC5)Cl

InChI

InChI=1S/C28H31ClN4O3/c1-19-12-13-20(26(34)32-16-14-31(15-17-32)21-8-4-2-5-9-21)18-23(19)30-25-24(29)27(35)33(28(25)36)22-10-6-3-7-11-22/h2,4-5,8-9,12-13,18,22,30H,3,6-7,10-11,14-17H2,1H3