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

Systemtic Name: tert-butyl N-[9-ethyl-5-(2-fluorophenyl)-2-oxidanylidene-1,3-dihydro-1,4-benzodiazepin-3-yl]carbamate Openeye Name: tert-butyl N-[9-ethyl-5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]carbamate CAS Name: N-[9-ethyl-5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[9-ethyl-5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]carbamate Traditional Name: N-[9-ethyl-5-(2-fluorophenyl)-2-keto-1,3-dihydro-1,4-benzodiazepin-3-yl]carbamic acid tert-butyl ester Formula: C22H24FN3O3 MolecularWeight: 397.442663

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC2=C1NC(=O)C(N=C2C3=CC=CC=C3F)NC(=O)OC(C)(C)C

Isomeric SMILES

CCC1=CC=CC2=C1NC(=O)C(N=C2C3=CC=CC=C3F)NC(=O)OC(C)(C)C

InChI

InChI=1S/C22H24FN3O3/c1-5-13-9-8-11-15-17(13)25-20(27)19(26-21(28)29-22(2,3)4)24-18(15)14-10-6-7-12-16(14)23/h6-12,19H,5H2,1-4H3,(H,25,27)(H,26,28)