tert-butyl N-[9-chloranyl-5-(2-fluorophenyl)-2-oxidanylidene-1,3-dihydro-1,4-benzodiazepin-3-yl]carbamate

Systemtic Name: tert-butyl N-[9-chloranyl-5-(2-fluorophenyl)-2-oxidanylidene-1,3-dihydro-1,4-benzodiazepin-3-yl]carbamate Openeye Name: tert-butyl N-[9-chloro-5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]carbamate CAS Name: N-[9-chloro-5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[9-chloro-5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]carbamate Traditional Name: N-[9-chloro-5-(2-fluorophenyl)-2-keto-1,3-dihydro-1,4-benzodiazepin-3-yl]carbamic acid tert-butyl ester Formula: C20H19ClFN3O3 MolecularWeight: 403.834563

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1C(=O)NC2=C(C=CC=C2Cl)C(=N1)C3=CC=CC=C3F

Isomeric SMILES

CC(C)(C)OC(=O)NC1C(=O)NC2=C(C=CC=C2Cl)C(=N1)C3=CC=CC=C3F

InChI

InChI=1S/C20H19ClFN3O3/c1-20(2,3)28-19(27)25-17-18(26)24-16-12(8-6-9-13(16)21)15(23-17)11-7-4-5-10-14(11)22/h4-10,17H,1-3H3,(H,24,26)(H,25,27)