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

Systemtic Name: tert-butyl N-(5-butyl-2-oxidanylidene-3,4-dihydro-1,4-benzodiazepin-3-yl)carbamate Openeye Name: tert-butyl N-(5-butyl-2-oxo-3,4-dihydro-1,4-benzodiazepin-3-yl)carbamate CAS Name: N-(5-butyl-2-oxo-3,4-dihydro-1,4-benzodiazepin-3-yl)carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-(5-butyl-2-oxo-3,4-dihydro-1,4-benzodiazepin-3-yl)carbamate Traditional Name: N-(5-butyl-2-keto-3,4-dihydro-1,4-benzodiazepin-3-yl)carbamic acid tert-butyl ester Formula: C18H25N3O3 MolecularWeight: 331.4094

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C2C=CC=CC2=NC(=O)C(N1)NC(=O)OC(C)(C)C

Isomeric SMILES

CCCCC1=C2C=CC=CC2=NC(=O)C(N1)NC(=O)OC(C)(C)C

InChI

InChI=1S/C18H25N3O3/c1-5-6-10-13-12-9-7-8-11-14(12)20-16(22)15(19-13)21-17(23)24-18(2,3)4/h7-9,11,15,19H,5-6,10H2,1-4H3,(H,21,23)