tert-butyl N-[1-cyclohexyl-5-(3,3-dimethyl-2-oxidanylidene-butyl)-7-methyl-4-oxidanylidene-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamate

Systemtic Name: tert-butyl N-[1-cyclohexyl-5-(3,3-dimethyl-2-oxidanylidene-butyl)-7-methyl-4-oxidanylidene-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamate Openeye Name: tert-butyl N-[1-cyclohexyl-5-(3,3-dimethyl-2-oxo-butyl)-7-methyl-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamate CAS Name: N-[1-cyclohexyl-5-(3,3-dimethyl-2-oxobutyl)-7-methyl-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-cyclohexyl-5-(3,3-dimethyl-2-oxobutyl)-7-methyl-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamate Traditional Name: N-[1-cyclohexyl-4-keto-5-(2-keto-3,3-dimethyl-butyl)-7-methyl-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamic acid tert-butyl ester Formula: C27H41N3O4 MolecularWeight: 471.63214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(CC(C(=O)N2CC(=O)C(C)(C)C)NC(=O)OC(C)(C)C)C3CCCCC3

Isomeric SMILES

CC1=CC2=C(C=C1)N(CC(C(=O)N2CC(=O)C(C)(C)C)NC(=O)OC(C)(C)C)C3CCCCC3

InChI

InChI=1S/C27H41N3O4/c1-18-13-14-21-22(15-18)30(17-23(31)26(2,3)4)24(32)20(28-25(33)34-27(5,6)7)16-29(21)19-11-9-8-10-12-19/h13-15,19-20H,8-12,16-17H2,1-7H3,(H,28,33)