tert-butyl N-[(8-chloranyl-2-oxidanylidene-1-phenyl-3H-1,5-benzodiazepin-4-yl)amino]carbamate

Systemtic Name: tert-butyl N-[(8-chloranyl-2-oxidanylidene-1-phenyl-3H-1,5-benzodiazepin-4-yl)amino]carbamate Openeye Name: tert-butyl N-[(8-chloro-2-oxo-1-phenyl-3H-1,5-benzodiazepin-4-yl)amino]carbamate CAS Name: N-[(8-chloro-2-oxo-1-phenyl-3H-1,5-benzodiazepin-4-yl)amino]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(8-chloro-2-oxo-1-phenyl-3H-1,5-benzodiazepin-4-yl)amino]carbamate Traditional Name: N-[(8-chloro-2-keto-1-phenyl-3H-1,5-benzodiazepin-4-yl)amino]carbamic acid tert-butyl ester Formula: C20H21ClN4O3 MolecularWeight: 400.85874

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NNC1=NC2=C(C=C(C=C2)Cl)N(C(=O)C1)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)NNC1=NC2=C(C=C(C=C2)Cl)N(C(=O)C1)C3=CC=CC=C3

InChI

InChI=1S/C20H21ClN4O3/c1-20(2,3)28-19(27)24-23-17-12-18(26)25(14-7-5-4-6-8-14)16-11-13(21)9-10-15(16)22-17/h4-11H,12H2,1-3H3,(H,22,23)(H,24,27)