(phenylmethyl) N-(1,5,9-trimethyl-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl)carbamate

Systemtic Name: (phenylmethyl) N-(1,5,9-trimethyl-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl)carbamate Openeye Name: benzyl N-(1,5,9-trimethyl-2-oxo-3H-1,4-benzodiazepin-3-yl)carbamate CAS Name: N-(1,5,9-trimethyl-2-oxo-3H-1,4-benzodiazepin-3-yl)carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-(1,5,9-trimethyl-2-oxo-3H-1,4-benzodiazepin-3-yl)carbamate Traditional Name: N-(2-keto-1,5,9-trimethyl-3H-1,4-benzodiazepin-3-yl)carbamic acid benzyl ester Formula: C20H21N3O3 MolecularWeight: 351.39904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N(C(=O)C(N=C2C)NC(=O)OCC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC=CC2=C1N(C(=O)C(N=C2C)NC(=O)OCC3=CC=CC=C3)C

InChI

InChI=1S/C20H21N3O3/c1-13-8-7-11-16-14(2)21-18(19(24)23(3)17(13)16)22-20(25)26-12-15-9-5-4-6-10-15/h4-11,18H,12H2,1-3H3,(H,22,25)