tert-butyl N-[1-cycloheptyl-5-(2,2-dimethylpropanoylamino)-4-oxidanylidene-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamate

Systemtic Name: tert-butyl N-[1-cycloheptyl-5-(2,2-dimethylpropanoylamino)-4-oxidanylidene-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamate Openeye Name: tert-butyl N-[1-cycloheptyl-5-(2,2-dimethylpropanoylamino)-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamate CAS Name: N-[1-cycloheptyl-5-[(2,2-dimethyl-1-oxopropyl)amino]-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-cycloheptyl-5-(2,2-dimethylpropanoylamino)-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamate Traditional Name: N-[1-cycloheptyl-4-keto-5-(pivaloylamino)-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamic acid tert-butyl ester Formula: C26H40N4O4 MolecularWeight: 472.6202

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)NN1C2=CC=CC=C2N(CC(C1=O)NC(=O)OC(C)(C)C)C3CCCCCC3

Isomeric SMILES

CC(C)(C)C(=O)NN1C2=CC=CC=C2N(CC(C1=O)NC(=O)OC(C)(C)C)C3CCCCCC3

InChI

InChI=1S/C26H40N4O4/c1-25(2,3)23(32)28-30-21-16-12-11-15-20(21)29(18-13-9-7-8-10-14-18)17-19(22(30)31)27-24(33)34-26(4,5)6/h11-12,15-16,18-19H,7-10,13-14,17H2,1-6H3,(H,27,33)(H,28,32)