(1R,2R)-N-(1-cyanocyclopropyl)-2-[(5-cyano-3,4-dihydro-1H-isoquinolin-2-yl)carbonyl]cyclohexane-1-carboxamide

Systemtic Name: (1R,2R)-N-(1-cyanocyclopropyl)-2-[(5-cyano-3,4-dihydro-1H-isoquinolin-2-yl)carbonyl]cyclohexane-1-carboxamide Openeye Name: (1R,2R)-N-(1-cyanocyclopropyl)-2-(5-cyano-3,4-dihydro-1H-isoquinoline-2-carbonyl)cyclohexanecarboxamide CAS Name: (1R,2R)-N-(1-cyanocyclopropyl)-2-[(5-cyano-3,4-dihydro-1H-isoquinolin-2-yl)-oxomethyl]-1-cyclohexanecarboxamide IUPAC Name: (1R,2R)-N-(1-cyanocyclopropyl)-2-(5-cyano-3,4-dihydro-1H-isoquinoline-2-carbonyl)cyclohexane-1-carboxamide Traditional Name: (1R,2R)-N-(1-cyanocyclopropyl)-2-(5-cyano-3,4-dihydro-1H-isoquinoline-2-carbonyl)cyclohexanecarboxamide Formula: C22H24N4O2 MolecularWeight: 376.45156

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N4O2/c23-12-15-4-3-5-16-13-26(11-8-17(15)16)21(28)19-7-2-1-6-18(19)20(27)25-22(14-24)9-10-22/h3-5,18-19H,1-2,6-11,13H2,(H,25,27)/t18-,19-/m1/s1