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

Systemtic Name: (phenylmethyl) N-[1-(2-cyclohexyl-2-oxidanylidene-ethyl)-5-ethyl-9-methyl-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl]carbamate Openeye Name: benzyl N-[1-(2-cyclohexyl-2-oxo-ethyl)-5-ethyl-9-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]carbamate CAS Name: N-[1-(2-cyclohexyl-2-oxoethyl)-5-ethyl-9-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[1-(2-cyclohexyl-2-oxoethyl)-5-ethyl-9-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]carbamate Traditional Name: N-[1-(2-cyclohexyl-2-keto-ethyl)-5-ethyl-2-keto-9-methyl-3H-1,4-benzodiazepin-3-yl]carbamic acid benzyl ester Formula: C28H33N3O4 MolecularWeight: 475.57932

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(C(=O)N(C2=C1C=CC=C2C)CC(=O)C3CCCCC3)NC(=O)OCC4=CC=CC=C4

Isomeric SMILES

CCC1=NC(C(=O)N(C2=C1C=CC=C2C)CC(=O)C3CCCCC3)NC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C28H33N3O4/c1-3-23-22-16-10-11-19(2)25(22)31(17-24(32)21-14-8-5-9-15-21)27(33)26(29-23)30-28(34)35-18-20-12-6-4-7-13-20/h4,6-7,10-13,16,21,26H,3,5,8-9,14-15,17-18H2,1-2H3,(H,30,34)