N-(2-azanylethyl)-2-(4-fluorophenyl)-1-(3-methylbutanoyl)-4-oxidanylidene-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide

Systemtic Name: N-(2-azanylethyl)-2-(4-fluorophenyl)-1-(3-methylbutanoyl)-4-oxidanylidene-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Openeye Name: N-(2-aminoethyl)-2-(4-fluorophenyl)-1-(3-methylbutanoyl)-4-oxo-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide CAS Name: N-(2-aminoethyl)-2-(4-fluorophenyl)-1-(3-methyl-1-oxobutyl)-4-oxo-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide IUPAC Name: N-(2-aminoethyl)-2-(4-fluorophenyl)-1-(3-methylbutanoyl)-4-oxo-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Traditional Name: N-(2-aminoethyl)-2-(4-fluorophenyl)-1-isovaleryl-4-keto-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Formula: C23H27FN4O3 MolecularWeight: 426.483883

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N1C(CC(=O)NC2=C1C=CC(=C2)C(=O)NCCN)C3=CC=C(C=C3)F

Isomeric SMILES

CC(C)CC(=O)N1C(CC(=O)NC2=C1C=CC(=C2)C(=O)NCCN)C3=CC=C(C=C3)F

InChI

InChI=1S/C23H27FN4O3/c1-14(2)11-22(30)28-19-8-5-16(23(31)26-10-9-25)12-18(19)27-21(29)13-20(28)15-3-6-17(24)7-4-15/h3-8,12,14,20H,9-11,13,25H2,1-2H3,(H,26,31)(H,27,29)