7-fluoranyl-4-(3-methylbutanoyl)-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one

Systemtic Name: 7-fluoranyl-4-(3-methylbutanoyl)-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one Openeye Name: 7-fluoro-4-(3-methylbutanoyl)-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one CAS Name: 7-fluoro-4-(3-methyl-1-oxobutyl)-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one IUPAC Name: 7-fluoro-4-(3-methylbutanoyl)-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one Traditional Name: 7-fluoro-4-isovaleryl-5-phenyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one Formula: C20H21FN2O2 MolecularWeight: 340.391343

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N1CC(=O)NC2=C(C1C3=CC=CC=C3)C=C(C=C2)F

Isomeric SMILES

CC(C)CC(=O)N1CC(=O)NC2=C(C1C3=CC=CC=C3)C=C(C=C2)F

InChI

InChI=1S/C20H21FN2O2/c1-13(2)10-19(25)23-12-18(24)22-17-9-8-15(21)11-16(17)20(23)14-6-4-3-5-7-14/h3-9,11,13,20H,10,12H2,1-2H3,(H,22,24)