(1R,2R)-N-(1-cyanocyclopropyl)-2-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)cyclohexane-1-carboxamide

Systemtic Name: (1R,2R)-N-(1-cyanocyclopropyl)-2-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)cyclohexane-1-carboxamide Openeye Name: (1R,2R)-N-(1-cyanocyclopropyl)-2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)cyclohexanecarboxamide CAS Name: (1R,2R)-N-(1-cyanocyclopropyl)-2-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-1-cyclohexanecarboxamide IUPAC Name: (1R,2R)-N-(1-cyanocyclopropyl)-2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)cyclohexane-1-carboxamide Traditional Name: (1R,2R)-N-(1-cyanocyclopropyl)-2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)cyclohexanecarboxamide Formula: C21H25N3O2 MolecularWeight: 351.4421

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C(=O)NC2(CC2)C#N)C(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

C1CC[C@H]([C@@H](C1)C(=O)NC2(CC2)C#N)C(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C21H25N3O2/c22-14-21(10-11-21)23-19(25)17-7-3-4-8-18(17)20(26)24-12-9-15-5-1-2-6-16(15)13-24/h1-2,5-6,17-18H,3-4,7-13H2,(H,23,25)/t17-,18-/m1/s1