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

Systemtic Name: 3-chloranyl-1-cyclohexyl-4-[[4-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)phenyl]amino]pyrrole-2,5-dione Openeye Name: 3-chloro-1-cyclohexyl-4-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)anilino]pyrrole-2,5-dione CAS Name: 3-chloro-1-cyclohexyl-4-[4-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]anilino]pyrrole-2,5-dione IUPAC Name: 3-chloro-1-cyclohexyl-4-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)anilino]pyrrole-2,5-dione Traditional Name: 3-chloro-1-cyclohexyl-4-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)anilino]-3-pyrroline-2,5-quinone Formula: C26H26ClN3O3 MolecularWeight: 463.95594

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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)N4CCC5=CC=CC=C5C4

Isomeric SMILES

C1CCC(CC1)N2C(=O)C(=C(C2=O)Cl)NC3=CC=C(C=C3)C(=O)N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C26H26ClN3O3/c27-22-23(26(33)30(25(22)32)21-8-2-1-3-9-21)28-20-12-10-18(11-13-20)24(31)29-15-14-17-6-4-5-7-19(17)16-29/h4-7,10-13,21,28H,1-3,8-9,14-16H2