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

Systemtic Name: (phenylmethyl) N-[1-(2-cyclohexyl-2-oxidanylidene-ethyl)-5,9-dimethyl-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl]carbamate Openeye Name: benzyl N-[1-(2-cyclohexyl-2-oxo-ethyl)-5,9-dimethyl-2-oxo-3H-1,4-benzodiazepin-3-yl]carbamate CAS Name: N-[1-(2-cyclohexyl-2-oxoethyl)-5,9-dimethyl-2-oxo-3H-1,4-benzodiazepin-3-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[1-(2-cyclohexyl-2-oxoethyl)-5,9-dimethyl-2-oxo-3H-1,4-benzodiazepin-3-yl]carbamate Traditional Name: N-[1-(2-cyclohexyl-2-keto-ethyl)-2-keto-5,9-dimethyl-3H-1,4-benzodiazepin-3-yl]carbamic acid benzyl ester Formula: C27H31N3O4 MolecularWeight: 461.55274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N(C(=O)C(N=C2C)NC(=O)OCC3=CC=CC=C3)CC(=O)C4CCCCC4

Isomeric SMILES

CC1=CC=CC2=C1N(C(=O)C(N=C2C)NC(=O)OCC3=CC=CC=C3)CC(=O)C4CCCCC4

InChI

InChI=1S/C27H31N3O4/c1-18-10-9-15-22-19(2)28-25(29-27(33)34-17-20-11-5-3-6-12-20)26(32)30(24(18)22)16-23(31)21-13-7-4-8-14-21/h3,5-6,9-12,15,21,25H,4,7-8,13-14,16-17H2,1-2H3,(H,29,33)