(phenylmethyl) N-[(3S)-2-oxidanylidene-5-propan-2-yl-3,4-dihydro-1,4-benzodiazepin-3-yl]carbamate

Systemtic Name: (phenylmethyl) N-[(3S)-2-oxidanylidene-5-propan-2-yl-3,4-dihydro-1,4-benzodiazepin-3-yl]carbamate Openeye Name: benzyl N-[(3S)-5-isopropyl-2-oxo-3,4-dihydro-1,4-benzodiazepin-3-yl]carbamate CAS Name: N-[(3S)-2-oxo-5-propan-2-yl-3,4-dihydro-1,4-benzodiazepin-3-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(3S)-2-oxo-5-propan-2-yl-3,4-dihydro-1,4-benzodiazepin-3-yl]carbamate Traditional Name: N-[(3S)-5-isopropyl-2-keto-3,4-dihydro-1,4-benzodiazepin-3-yl]carbamic acid benzyl ester Formula: C20H21N3O3 MolecularWeight: 351.39904

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C2C=CC=CC2=NC(=O)C(N1)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)C1=C2C=CC=CC2=NC(=O)[C@@H](N1)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C20H21N3O3/c1-13(2)17-15-10-6-7-11-16(15)21-19(24)18(22-17)23-20(25)26-12-14-8-4-3-5-9-14/h3-11,13,18,22H,12H2,1-2H3,(H,23,25)/t18-/m0/s1