3-chloranyl-1-cyclohexyl-4-[[5-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-2-methyl-phenyl]amino]pyrrole-2,5-dione

Systemtic Name: 3-chloranyl-1-cyclohexyl-4-[[5-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-2-methyl-phenyl]amino]pyrrole-2,5-dione Openeye Name: 3-chloro-1-cyclohexyl-4-[5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-methyl-anilino]pyrrole-2,5-dione CAS Name: 3-chloro-1-cyclohexyl-4-[5-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-2-methylanilino]pyrrole-2,5-dione IUPAC Name: 3-chloro-1-cyclohexyl-4-[5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-methylanilino]pyrrole-2,5-dione Traditional Name: 3-chloro-1-cyclohexyl-4-[5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-methyl-anilino]-3-pyrroline-2,5-quinone Formula: C27H28ClN3O3 MolecularWeight: 477.98252

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CCC3=CC=CC=C3C2)NC4=C(C(=O)N(C4=O)C5CCCCC5)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CCC3=CC=CC=C3C2)NC4=C(C(=O)N(C4=O)C5CCCCC5)Cl

InChI

InChI=1S/C27H28ClN3O3/c1-17-11-12-19(25(32)30-14-13-18-7-5-6-8-20(18)16-30)15-22(17)29-24-23(28)26(33)31(27(24)34)21-9-3-2-4-10-21/h5-8,11-12,15,21,29H,2-4,9-10,13-14,16H2,1H3