(phenylmethyl) N-[(2S)-1-(1-cyano-1H-isoquinolin-2-yl)-1-oxidanylidene-propan-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[(2S)-1-(1-cyano-1H-isoquinolin-2-yl)-1-oxidanylidene-propan-2-yl]carbamate Openeye Name: benzyl N-[(1S)-2-(1-cyano-1H-isoquinolin-2-yl)-1-methyl-2-oxo-ethyl]carbamate CAS Name: N-[(2S)-1-(1-cyano-1H-isoquinolin-2-yl)-1-oxopropan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(2S)-1-(1-cyano-1H-isoquinolin-2-yl)-1-oxopropan-2-yl]carbamate Traditional Name: N-[(1S)-2-(1-cyano-1H-isoquinolin-2-yl)-2-keto-1-methyl-ethyl]carbamic acid benzyl ester Formula: C21H19N3O3 MolecularWeight: 361.39386

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1C=CC2=CC=CC=C2C1C#N)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

C[C@@H](C(=O)N1C=CC2=CC=CC=C2C1C#N)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C21H19N3O3/c1-15(23-21(26)27-14-16-7-3-2-4-8-16)20(25)24-12-11-17-9-5-6-10-18(17)19(24)13-22/h2-12,15,19H,14H2,1H3,(H,23,26)/t15-,19?/m0/s1