(2S)-N-[(2R)-2-cyano-3-methyl-butan-2-yl]-2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propanamide

Systemtic Name: (2S)-N-[(2R)-2-cyano-3-methyl-butan-2-yl]-2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propanamide Openeye Name: (2S)-N-[(1R)-1-cyano-1,2-dimethyl-propyl]-2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propanamide CAS Name: (2S)-N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propanamide IUPAC Name: (2S)-N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propanamide Traditional Name: (2S)-N-[(1R)-1-cyano-1,2-dimethyl-propyl]-2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propionamide Formula: C20H29N3O3 MolecularWeight: 359.46256

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)(C#N)NC(=O)C(C)N1CCC2=CC(=C(C=C2C1)OC)OC

Isomeric SMILES

C[C@@H](C(=O)N[C@@](C)(C#N)C(C)C)N1CCC2=CC(=C(C=C2C1)OC)OC

InChI

InChI=1S/C20H29N3O3/c1-13(2)20(4,12-21)22-19(24)14(3)23-8-7-15-9-17(25-5)18(26-6)10-16(15)11-23/h9-10,13-14H,7-8,11H2,1-6H3,(H,22,24)/t14-,20-/m0/s1