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

Systemtic Name: tert-butyl N-[5-[2-(tert-butylamino)-2-oxidanylidene-ethyl]-1-cyclohexyl-4-oxidanylidene-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamate Openeye Name: tert-butyl N-[5-[2-(tert-butylamino)-2-oxo-ethyl]-1-cyclohexyl-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamate CAS Name: N-[5-[2-(tert-butylamino)-2-oxoethyl]-1-cyclohexyl-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[5-[2-(tert-butylamino)-2-oxoethyl]-1-cyclohexyl-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamate Traditional Name: N-[5-[2-(tert-butylamino)-2-keto-ethyl]-1-cyclohexyl-4-keto-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamic acid tert-butyl ester Formula: C26H40N4O4 MolecularWeight: 472.6202

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)CN1C2=CC=CC=C2N(CC(C1=O)NC(=O)OC(C)(C)C)C3CCCCC3

Isomeric SMILES

CC(C)(C)NC(=O)CN1C2=CC=CC=C2N(CC(C1=O)NC(=O)OC(C)(C)C)C3CCCCC3

InChI

InChI=1S/C26H40N4O4/c1-25(2,3)28-22(31)17-30-21-15-11-10-14-20(21)29(18-12-8-7-9-13-18)16-19(23(30)32)27-24(33)34-26(4,5)6/h10-11,14-15,18-19H,7-9,12-13,16-17H2,1-6H3,(H,27,33)(H,28,31)