(phenylmethyl) N-[7-chloranyl-1-(3,3-dimethyl-2-oxidanylidene-butyl)-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl]carbamate

Systemtic Name: (phenylmethyl) N-[7-chloranyl-1-(3,3-dimethyl-2-oxidanylidene-butyl)-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl]carbamate Openeye Name: benzyl N-[7-chloro-1-(3,3-dimethyl-2-oxo-butyl)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]carbamate CAS Name: N-[7-chloro-1-(3,3-dimethyl-2-oxobutyl)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[7-chloro-1-(3,3-dimethyl-2-oxobutyl)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]carbamate Traditional Name: N-[7-chloro-2-keto-1-(2-keto-3,3-dimethyl-butyl)-5-phenyl-3H-1,4-benzodiazepin-3-yl]carbamic acid benzyl ester Formula: C29H28ClN3O4 MolecularWeight: 518.00332

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CN1C2=C(C=C(C=C2)Cl)C(=NC(C1=O)NC(=O)OCC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C(=O)CN1C2=C(C=C(C=C2)Cl)C(=NC(C1=O)NC(=O)OCC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C29H28ClN3O4/c1-29(2,3)24(34)17-33-23-15-14-21(30)16-22(23)25(20-12-8-5-9-13-20)31-26(27(33)35)32-28(36)37-18-19-10-6-4-7-11-19/h4-16,26H,17-18H2,1-3H3,(H,32,36)