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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=O)C(=C(C2=O)Cl)NCC3=CC=C(C=C3)C(=O)N4CCC5=CC=CC=C5C4

Isomeric SMILES

C1CCC(CC1)N2C(=O)C(=C(C2=O)Cl)NCC3=CC=C(C=C3)C(=O)N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C27H28ClN3O3/c28-23-24(27(34)31(26(23)33)22-8-2-1-3-9-22)29-16-18-10-12-20(13-11-18)25(32)30-15-14-19-6-4-5-7-21(19)17-30/h4-7,10-13,22,29H,1-3,8-9,14-17H2