(phenylmethyl) N-(5-cyclopropyl-9-methyl-2-oxidanylidene-3,4-dihydro-1,4-benzodiazepin-3-yl)carbamate

Systemtic Name: (phenylmethyl) N-(5-cyclopropyl-9-methyl-2-oxidanylidene-3,4-dihydro-1,4-benzodiazepin-3-yl)carbamate Openeye Name: benzyl N-(5-cyclopropyl-9-methyl-2-oxo-3,4-dihydro-1,4-benzodiazepin-3-yl)carbamate CAS Name: N-(5-cyclopropyl-9-methyl-2-oxo-3,4-dihydro-1,4-benzodiazepin-3-yl)carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-(5-cyclopropyl-9-methyl-2-oxo-3,4-dihydro-1,4-benzodiazepin-3-yl)carbamate Traditional Name: N-(5-cyclopropyl-2-keto-9-methyl-3,4-dihydro-1,4-benzodiazepin-3-yl)carbamic acid benzyl ester Formula: C21H21N3O3 MolecularWeight: 363.40974

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C(NC(C(=O)N=C12)NC(=O)OCC3=CC=CC=C3)C4CC4

Isomeric SMILES

CC1=CC=CC2=C(NC(C(=O)N=C12)NC(=O)OCC3=CC=CC=C3)C4CC4

InChI

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