(phenylmethyl) N-[5-cyclohexyl-1-[(2-ethanoylphenyl)methyl]-9-methyl-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl]carbamate

Systemtic Name: (phenylmethyl) N-[5-cyclohexyl-1-[(2-ethanoylphenyl)methyl]-9-methyl-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl]carbamate Openeye Name: benzyl N-[1-[(2-acetylphenyl)methyl]-5-cyclohexyl-9-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]carbamate CAS Name: N-[1-[(2-acetylphenyl)methyl]-5-cyclohexyl-9-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[1-[(2-acetylphenyl)methyl]-5-cyclohexyl-9-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]carbamate Traditional Name: N-[1-(2-acetylbenzyl)-5-cyclohexyl-2-keto-9-methyl-3H-1,4-benzodiazepin-3-yl]carbamic acid benzyl ester Formula: C33H35N3O4 MolecularWeight: 537.6487

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N(C(=O)C(N=C2C3CCCCC3)NC(=O)OCC4=CC=CC=C4)CC5=CC=CC=C5C(=O)C

Isomeric SMILES

CC1=CC=CC2=C1N(C(=O)C(N=C2C3CCCCC3)NC(=O)OCC4=CC=CC=C4)CC5=CC=CC=C5C(=O)C

InChI

InChI=1S/C33H35N3O4/c1-22-12-11-19-28-29(25-15-7-4-8-16-25)34-31(35-33(39)40-21-24-13-5-3-6-14-24)32(38)36(30(22)28)20-26-17-9-10-18-27(26)23(2)37/h3,5-6,9-14,17-19,25,31H,4,7-8,15-16,20-21H2,1-2H3,(H,35,39)