(3R)-2-[2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: (3R)-2-[2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3R)-2-[2-[(1-cyanocyclohexyl)amino]-2-oxo-ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3R)-2-[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3R)-2-[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3R)-2-[2-[(1-cyanocyclohexyl)amino]-2-keto-ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C19H24N4O2 MolecularWeight: 340.41946

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C#N)NC(=O)CN2CC3=CC=CC=C3CC2C(=O)N

Isomeric SMILES

C1CCC(CC1)(C#N)NC(=O)CN2CC3=CC=CC=C3C[C@@H]2C(=O)N

InChI

InChI=1S/C19H24N4O2/c20-13-19(8-4-1-5-9-19)22-17(24)12-23-11-15-7-3-2-6-14(15)10-16(23)18(21)25/h2-3,6-7,16H,1,4-5,8-12H2,(H2,21,25)(H,22,24)/t16-/m1/s1