4-(2-ethylbutanoyl)-5-(4-fluorophenyl)-7-methyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one

Systemtic Name: 4-(2-ethylbutanoyl)-5-(4-fluorophenyl)-7-methyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one Openeye Name: 4-(2-ethylbutanoyl)-5-(4-fluorophenyl)-7-methyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one CAS Name: 4-(2-ethyl-1-oxobutyl)-5-(4-fluorophenyl)-7-methyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one IUPAC Name: 4-(2-ethylbutanoyl)-5-(4-fluorophenyl)-7-methyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one Traditional Name: 4-(2-ethylbutanoyl)-5-(4-fluorophenyl)-7-methyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one Formula: C22H25FN2O2 MolecularWeight: 368.444503

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25FN2O2/c1-4-15(5-2)22(27)25-13-20(26)24-19-11-6-14(3)12-18(19)21(25)16-7-9-17(23)10-8-16/h6-12,15,21H,4-5,13H2,1-3H3,(H,24,26)