(phenylmethyl) N-[1-(isoquinolin-1-ylmethylamino)-1-oxidanylidene-propan-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[1-(isoquinolin-1-ylmethylamino)-1-oxidanylidene-propan-2-yl]carbamate Openeye Name: benzyl N-[2-(1-isoquinolylmethylamino)-1-methyl-2-oxo-ethyl]carbamate CAS Name: N-[1-(1-isoquinolinylmethylamino)-1-oxopropan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[1-(isoquinolin-1-ylmethylamino)-1-oxopropan-2-yl]carbamate Traditional Name: N-[2-(1-isoquinolylmethylamino)-2-keto-1-methyl-ethyl]carbamic acid benzyl ester Formula: C21H21N3O3 MolecularWeight: 363.40974

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=NC=CC2=CC=CC=C21)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C(=O)NCC1=NC=CC2=CC=CC=C21)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C21H21N3O3/c1-15(24-21(26)27-14-16-7-3-2-4-8-16)20(25)23-13-19-18-10-6-5-9-17(18)11-12-22-19/h2-12,15H,13-14H2,1H3,(H,23,25)(H,24,26)