(phenylmethyl) N-[1-(3,3-dimethyl-2-oxidanylidene-butyl)-5,9-dimethyl-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl]carbamate

Systemtic Name: (phenylmethyl) N-[1-(3,3-dimethyl-2-oxidanylidene-butyl)-5,9-dimethyl-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl]carbamate Openeye Name: benzyl N-[1-(3,3-dimethyl-2-oxo-butyl)-5,9-dimethyl-2-oxo-3H-1,4-benzodiazepin-3-yl]carbamate CAS Name: N-[1-(3,3-dimethyl-2-oxobutyl)-5,9-dimethyl-2-oxo-3H-1,4-benzodiazepin-3-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[1-(3,3-dimethyl-2-oxobutyl)-5,9-dimethyl-2-oxo-3H-1,4-benzodiazepin-3-yl]carbamate Traditional Name: N-[2-keto-1-(2-keto-3,3-dimethyl-butyl)-5,9-dimethyl-3H-1,4-benzodiazepin-3-yl]carbamic acid benzyl ester Formula: C25H29N3O4 MolecularWeight: 435.51546

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N(C(=O)C(N=C2C)NC(=O)OCC3=CC=CC=C3)CC(=O)C(C)(C)C

Isomeric SMILES

CC1=CC=CC2=C1N(C(=O)C(N=C2C)NC(=O)OCC3=CC=CC=C3)CC(=O)C(C)(C)C

InChI

InChI=1S/C25H29N3O4/c1-16-10-9-13-19-17(2)26-22(27-24(31)32-15-18-11-7-6-8-12-18)23(30)28(21(16)19)14-20(29)25(3,4)5/h6-13,22H,14-15H2,1-5H3,(H,27,31)