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

Systemtic Name: (phenylmethyl) N-[5-cyclohexyl-1-(2-cyclopropyl-2-oxidanylidene-ethyl)-9-methyl-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl]carbamate Openeye Name: benzyl N-[5-cyclohexyl-1-(2-cyclopropyl-2-oxo-ethyl)-9-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]carbamate CAS Name: N-[5-cyclohexyl-1-(2-cyclopropyl-2-oxoethyl)-9-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[5-cyclohexyl-1-(2-cyclopropyl-2-oxoethyl)-9-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]carbamate Traditional Name: N-[5-cyclohexyl-1-(2-cyclopropyl-2-keto-ethyl)-2-keto-9-methyl-3H-1,4-benzodiazepin-3-yl]carbamic acid benzyl ester Formula: C29H33N3O4 MolecularWeight: 487.59002

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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)CC(=O)C5CC5

Isomeric SMILES

CC1=CC=CC2=C1N(C(=O)C(N=C2C3CCCCC3)NC(=O)OCC4=CC=CC=C4)CC(=O)C5CC5

InChI

InChI=1S/C29H33N3O4/c1-19-9-8-14-23-25(22-12-6-3-7-13-22)30-27(31-29(35)36-18-20-10-4-2-5-11-20)28(34)32(26(19)23)17-24(33)21-15-16-21/h2,4-5,8-11,14,21-22,27H,3,6-7,12-13,15-18H2,1H3,(H,31,35)