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

Systemtic Name: (phenylmethyl) N-[9-methyl-5-(2-methylpropyl)-2-oxidanylidene-3,4-dihydro-1,4-benzodiazepin-3-yl]carbamate Openeye Name: benzyl N-(5-isobutyl-9-methyl-2-oxo-3,4-dihydro-1,4-benzodiazepin-3-yl)carbamate CAS Name: N-[9-methyl-5-(2-methylpropyl)-2-oxo-3,4-dihydro-1,4-benzodiazepin-3-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[9-methyl-5-(2-methylpropyl)-2-oxo-3,4-dihydro-1,4-benzodiazepin-3-yl]carbamate Traditional Name: N-(5-isobutyl-2-keto-9-methyl-3,4-dihydro-1,4-benzodiazepin-3-yl)carbamic acid benzyl ester Formula: C22H25N3O3 MolecularWeight: 379.4522

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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)CC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O3/c1-14(2)12-18-17-11-7-8-15(3)19(17)24-21(26)20(23-18)25-22(27)28-13-16-9-5-4-6-10-16/h4-11,14,20,23H,12-13H2,1-3H3,(H,25,27)