N-butyl-5-(2-fluorophenyl)-1,7-dimethyl-2-oxidanylidene-3,5-dihydro-1,4-benzodiazepine-4-carboxamide

Systemtic Name: N-butyl-5-(2-fluorophenyl)-1,7-dimethyl-2-oxidanylidene-3,5-dihydro-1,4-benzodiazepine-4-carboxamide Openeye Name: N-butyl-5-(2-fluorophenyl)-1,7-dimethyl-2-oxo-3,5-dihydro-1,4-benzodiazepine-4-carboxamide CAS Name: N-butyl-5-(2-fluorophenyl)-1,7-dimethyl-2-oxo-3,5-dihydro-1,4-benzodiazepine-4-carboxamide IUPAC Name: N-butyl-5-(2-fluorophenyl)-1,7-dimethyl-2-oxo-3,5-dihydro-1,4-benzodiazepine-4-carboxamide Traditional Name: N-butyl-5-(2-fluorophenyl)-2-keto-1,7-dimethyl-3,5-dihydro-1,4-benzodiazepine-4-carboxamide Formula: C22H26FN3O2 MolecularWeight: 383.459143

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)N1CC(=O)N(C2=C(C1C3=CC=CC=C3F)C=C(C=C2)C)C

Isomeric SMILES

CCCCNC(=O)N1CC(=O)N(C2=C(C1C3=CC=CC=C3F)C=C(C=C2)C)C

InChI

InChI=1S/C22H26FN3O2/c1-4-5-12-24-22(28)26-14-20(27)25(3)19-11-10-15(2)13-17(19)21(26)16-8-6-7-9-18(16)23/h6-11,13,21H,4-5,12,14H2,1-3H3,(H,24,28)