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

Systemtic Name: tert-butyl N-[5-(2-methylpropanoyl)-2-oxidanylidene-3,4-dihydro-1H-1,5-benzodiazepin-3-yl]carbamate Openeye Name: tert-butyl N-[5-(2-methylpropanoyl)-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-3-yl]carbamate CAS Name: N-[5-(2-methyl-1-oxopropyl)-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-3-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[5-(2-methylpropanoyl)-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-3-yl]carbamate Traditional Name: N-(5-isobutyryl-2-keto-3,4-dihydro-1H-1,5-benzodiazepin-3-yl)carbamic acid tert-butyl ester Formula: C18H25N3O4 MolecularWeight: 347.4088

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25N3O4/c1-11(2)16(23)21-10-13(20-17(24)25-18(3,4)5)15(22)19-12-8-6-7-9-14(12)21/h6-9,11,13H,10H2,1-5H3,(H,19,22)(H,20,24)