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

Systemtic Name: (phenylmethyl) N-[1-(3,3-dimethyl-2-oxidanylidene-butyl)-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl]carbamate Openeye Name: benzyl N-[1-(3,3-dimethyl-2-oxo-butyl)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]carbamate CAS Name: N-[1-(3,3-dimethyl-2-oxobutyl)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[1-(3,3-dimethyl-2-oxobutyl)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]carbamate Traditional Name: N-[2-keto-1-(2-keto-3,3-dimethyl-butyl)-5-phenyl-3H-1,4-benzodiazepin-3-yl]carbamic acid benzyl ester Formula: C29H29N3O4 MolecularWeight: 483.55826

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)OCC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C(=O)CN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)OCC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C29H29N3O4/c1-29(2,3)24(33)18-32-23-17-11-10-16-22(23)25(21-14-8-5-9-15-21)30-26(27(32)34)31-28(35)36-19-20-12-6-4-7-13-20/h4-17,26H,18-19H2,1-3H3,(H,31,35)