(phenylmethyl) N-[5-cyclohexyl-1-(2-methylpropyl)-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl]carbamate

Systemtic Name: (phenylmethyl) N-[5-cyclohexyl-1-(2-methylpropyl)-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl]carbamate Openeye Name: benzyl N-(5-cyclohexyl-1-isobutyl-2-oxo-3H-1,4-benzodiazepin-3-yl)carbamate CAS Name: N-[5-cyclohexyl-1-(2-methylpropyl)-2-oxo-3H-1,4-benzodiazepin-3-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[5-cyclohexyl-1-(2-methylpropyl)-2-oxo-3H-1,4-benzodiazepin-3-yl]carbamate Traditional Name: N-(5-cyclohexyl-1-isobutyl-2-keto-3H-1,4-benzodiazepin-3-yl)carbamic acid benzyl ester Formula: C27H33N3O3 MolecularWeight: 447.56922

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)OCC3=CC=CC=C3)C4CCCCC4

Isomeric SMILES

CC(C)CN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)OCC3=CC=CC=C3)C4CCCCC4

InChI

InChI=1S/C27H33N3O3/c1-19(2)17-30-23-16-10-9-15-22(23)24(21-13-7-4-8-14-21)28-25(26(30)31)29-27(32)33-18-20-11-5-3-6-12-20/h3,5-6,9-12,15-16,19,21,25H,4,7-8,13-14,17-18H2,1-2H3,(H,29,32)