tert-butyl N-(5-hexan-2-yl-2-oxidanylidene-3,4-dihydro-1H-1,5-benzodiazepin-3-yl)carbamate

Systemtic Name: tert-butyl N-(5-hexan-2-yl-2-oxidanylidene-3,4-dihydro-1H-1,5-benzodiazepin-3-yl)carbamate Openeye Name: tert-butyl N-[5-(1-methylpentyl)-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-3-yl]carbamate CAS Name: N-(5-hexan-2-yl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-3-yl)carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-(5-hexan-2-yl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-3-yl)carbamate Traditional Name: N-[2-keto-5-(1-methylpentyl)-3,4-dihydro-1H-1,5-benzodiazepin-3-yl]carbamic acid tert-butyl ester Formula: C20H31N3O3 MolecularWeight: 361.47844

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)N1CC(C(=O)NC2=CC=CC=C21)NC(=O)OC(C)(C)C

Isomeric SMILES

CCCCC(C)N1CC(C(=O)NC2=CC=CC=C21)NC(=O)OC(C)(C)C

InChI

InChI=1S/C20H31N3O3/c1-6-7-10-14(2)23-13-16(22-19(25)26-20(3,4)5)18(24)21-15-11-8-9-12-17(15)23/h8-9,11-12,14,16H,6-7,10,13H2,1-5H3,(H,21,24)(H,22,25)