tert-butyl N-[7-methyl-4-oxidanylidene-1-(phenylcarbonyl)-3,5-dihydro-2H-1,5-benzodiazepin-3-yl]carbamate

Systemtic Name: tert-butyl N-[7-methyl-4-oxidanylidene-1-(phenylcarbonyl)-3,5-dihydro-2H-1,5-benzodiazepin-3-yl]carbamate Openeye Name: tert-butyl N-(1-benzoyl-7-methyl-4-oxo-3,5-dihydro-2H-1,5-benzodiazepin-3-yl)carbamate CAS Name: N-(1-benzoyl-7-methyl-4-oxo-3,5-dihydro-2H-1,5-benzodiazepin-3-yl)carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-(1-benzoyl-7-methyl-4-oxo-3,5-dihydro-2H-1,5-benzodiazepin-3-yl)carbamate Traditional Name: N-(1-benzoyl-4-keto-7-methyl-3,5-dihydro-2H-1,5-benzodiazepin-3-yl)carbamic acid tert-butyl ester Formula: C22H25N3O4 MolecularWeight: 395.4516

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(CC(C(=O)N2)NC(=O)OC(C)(C)C)C(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC2=C(C=C1)N(CC(C(=O)N2)NC(=O)OC(C)(C)C)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H25N3O4/c1-14-10-11-18-16(12-14)23-19(26)17(24-21(28)29-22(2,3)4)13-25(18)20(27)15-8-6-5-7-9-15/h5-12,17H,13H2,1-4H3,(H,23,26)(H,24,28)