(phenylmethyl) N-[(2S)-1-(isoquinolin-5-ylamino)-1-oxidanylidene-propan-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[(2S)-1-(isoquinolin-5-ylamino)-1-oxidanylidene-propan-2-yl]carbamate Openeye Name: benzyl N-[(1S)-2-(5-isoquinolylamino)-1-methyl-2-oxo-ethyl]carbamate CAS Name: N-[(2S)-1-(5-isoquinolinylamino)-1-oxopropan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(2S)-1-(isoquinolin-5-ylamino)-1-oxopropan-2-yl]carbamate Traditional Name: N-[(1S)-2-(5-isoquinolylamino)-2-keto-1-methyl-ethyl]carbamic acid benzyl ester Formula: C20H19N3O3 MolecularWeight: 349.38316

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC2=C1C=CN=C2)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC2=C1C=CN=C2)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C20H19N3O3/c1-14(22-20(25)26-13-15-6-3-2-4-7-15)19(24)23-18-9-5-8-16-12-21-11-10-17(16)18/h2-12,14H,13H2,1H3,(H,22,25)(H,23,24)/t14-/m0/s1