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

Systemtic Name: (phenylmethyl) N-[5-tert-butyl-1-(2-methylpropyl)-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl]carbamate Openeye Name: benzyl N-(5-tert-butyl-1-isobutyl-2-oxo-3H-1,4-benzodiazepin-3-yl)carbamate CAS Name: N-[5-tert-butyl-1-(2-methylpropyl)-2-oxo-3H-1,4-benzodiazepin-3-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[5-tert-butyl-1-(2-methylpropyl)-2-oxo-3H-1,4-benzodiazepin-3-yl]carbamate Traditional Name: N-(5-tert-butyl-1-isobutyl-2-keto-3H-1,4-benzodiazepin-3-yl)carbamic acid benzyl ester Formula: C25H31N3O3 MolecularWeight: 421.53194

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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)C(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C25H31N3O3/c1-17(2)15-28-20-14-10-9-13-19(20)21(25(3,4)5)26-22(23(28)29)27-24(30)31-16-18-11-7-6-8-12-18/h6-14,17,22H,15-16H2,1-5H3,(H,27,30)