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

Systemtic Name: 3-chloranyl-1-cyclohexyl-4-[[4-(4-phenylpiperazin-1-yl)carbonylphenyl]amino]pyrrole-2,5-dione Openeye Name: 3-chloro-1-cyclohexyl-4-[4-(4-phenylpiperazine-1-carbonyl)anilino]pyrrole-2,5-dione CAS Name: 3-chloro-1-cyclohexyl-4-[4-[oxo-(4-phenyl-1-piperazinyl)methyl]anilino]pyrrole-2,5-dione IUPAC Name: 3-chloro-1-cyclohexyl-4-[4-(4-phenylpiperazine-1-carbonyl)anilino]pyrrole-2,5-dione Traditional Name: 3-chloro-1-cyclohexyl-4-[4-(4-phenylpiperazine-1-carbonyl)anilino]-3-pyrroline-2,5-quinone Formula: C27H29ClN4O3 MolecularWeight: 492.99716

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=O)C(=C(C2=O)Cl)NC3=CC=C(C=C3)C(=O)N4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)N2C(=O)C(=C(C2=O)Cl)NC3=CC=C(C=C3)C(=O)N4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C27H29ClN4O3/c28-23-24(27(35)32(26(23)34)22-9-5-2-6-10-22)29-20-13-11-19(12-14-20)25(33)31-17-15-30(16-18-31)21-7-3-1-4-8-21/h1,3-4,7-8,11-14,22,29H,2,5-6,9-10,15-18H2