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

Systemtic Name: tert-butyl N-[5-(4-chlorophenyl)-2-oxidanylidene-1,3-dihydro-1,4-benzodiazepin-3-yl]carbamate Openeye Name: tert-butyl N-[5-(4-chlorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]carbamate CAS Name: N-[5-(4-chlorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[5-(4-chlorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]carbamate Traditional Name: N-[5-(4-chlorophenyl)-2-keto-1,3-dihydro-1,4-benzodiazepin-3-yl]carbamic acid tert-butyl ester Formula: C20H20ClN3O3 MolecularWeight: 385.8441

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1C(=O)NC2=CC=CC=C2C(=N1)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)(C)OC(=O)NC1C(=O)NC2=CC=CC=C2C(=N1)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H20ClN3O3/c1-20(2,3)27-19(26)24-17-18(25)22-15-7-5-4-6-14(15)16(23-17)12-8-10-13(21)11-9-12/h4-11,17H,1-3H3,(H,22,25)(H,24,26)