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

Systemtic Name: tert-butyl N-[5-(4-chlorophenyl)carbonyl-2-oxidanylidene-3,4-dihydro-1H-1,5-benzodiazepin-3-yl]carbamate Openeye Name: tert-butyl N-[5-(4-chlorobenzoyl)-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-3-yl]carbamate CAS Name: N-[5-[(4-chlorophenyl)-oxomethyl]-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-3-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[5-(4-chlorobenzoyl)-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-3-yl]carbamate Traditional Name: N-[5-(4-chlorobenzoyl)-2-keto-3,4-dihydro-1H-1,5-benzodiazepin-3-yl]carbamic acid tert-butyl ester Formula: C21H22ClN3O4 MolecularWeight: 415.87008

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1CN(C2=CC=CC=C2NC1=O)C(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)(C)OC(=O)NC1CN(C2=CC=CC=C2NC1=O)C(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H22ClN3O4/c1-21(2,3)29-20(28)24-16-12-25(19(27)13-8-10-14(22)11-9-13)17-7-5-4-6-15(17)23-18(16)26/h4-11,16H,12H2,1-3H3,(H,23,26)(H,24,28)