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

Systemtic Name: (phenylmethyl) N-[5-(3-methylbutyl)-2-oxidanylidene-3,4-dihydro-1,4-benzodiazepin-3-yl]carbamate Openeye Name: benzyl N-(5-isopentyl-2-oxo-3,4-dihydro-1,4-benzodiazepin-3-yl)carbamate CAS Name: N-[5-(3-methylbutyl)-2-oxo-3,4-dihydro-1,4-benzodiazepin-3-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[5-(3-methylbutyl)-2-oxo-3,4-dihydro-1,4-benzodiazepin-3-yl]carbamate Traditional Name: N-(5-isoamyl-2-keto-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:

CC(C)CCC1=C2C=CC=CC2=NC(=O)C(N1)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)CCC1=C2C=CC=CC2=NC(=O)C(N1)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C22H25N3O3/c1-15(2)12-13-19-17-10-6-7-11-18(17)24-21(26)20(23-19)25-22(27)28-14-16-8-4-3-5-9-16/h3-11,15,20,23H,12-14H2,1-2H3,(H,25,27)