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

Systemtic Name: (phenylmethyl) N-[1-(2-cyclobutyl-2-oxidanylidene-ethyl)-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl]carbamate Openeye Name: benzyl N-[1-(2-cyclobutyl-2-oxo-ethyl)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]carbamate CAS Name: N-[1-(2-cyclobutyl-2-oxoethyl)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[1-(2-cyclobutyl-2-oxoethyl)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]carbamate Traditional Name: N-[1-(2-cyclobutyl-2-keto-ethyl)-2-keto-5-phenyl-3H-1,4-benzodiazepin-3-yl]carbamic acid benzyl ester Formula: C29H27N3O4 MolecularWeight: 481.54238

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)C(=O)CN2C3=CC=CC=C3C(=NC(C2=O)NC(=O)OCC4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CC(C1)C(=O)CN2C3=CC=CC=C3C(=NC(C2=O)NC(=O)OCC4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C29H27N3O4/c33-25(21-14-9-15-21)18-32-24-17-8-7-16-23(24)26(22-12-5-2-6-13-22)30-27(28(32)34)31-29(35)36-19-20-10-3-1-4-11-20/h1-8,10-13,16-17,21,27H,9,14-15,18-19H2,(H,31,35)