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

Systemtic Name: tert-butyl N-[5-(2-fluorophenyl)-9-methyl-2-oxidanylidene-1,3-dihydro-1,4-benzodiazepin-3-yl]carbamate Openeye Name: tert-butyl N-[5-(2-fluorophenyl)-9-methyl-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]carbamate CAS Name: N-[5-(2-fluorophenyl)-9-methyl-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[5-(2-fluorophenyl)-9-methyl-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]carbamate Traditional Name: N-[5-(2-fluorophenyl)-2-keto-9-methyl-1,3-dihydro-1,4-benzodiazepin-3-yl]carbamic acid tert-butyl ester Formula: C21H22FN3O3 MolecularWeight: 383.416083

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1NC(=O)C(N=C2C3=CC=CC=C3F)NC(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=CC2=C1NC(=O)C(N=C2C3=CC=CC=C3F)NC(=O)OC(C)(C)C

InChI

InChI=1S/C21H22FN3O3/c1-12-8-7-10-14-16(12)24-19(26)18(25-20(27)28-21(2,3)4)23-17(14)13-9-5-6-11-15(13)22/h5-11,18H,1-4H3,(H,24,26)(H,25,27)