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

Systemtic Name: 5-(4-fluorophenyl)-7-methyl-4-(3-methylbutanoyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one Openeye Name: 5-(4-fluorophenyl)-7-methyl-4-(3-methylbutanoyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one CAS Name: 5-(4-fluorophenyl)-7-methyl-4-(3-methyl-1-oxobutyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one IUPAC Name: 5-(4-fluorophenyl)-7-methyl-4-(3-methylbutanoyl)-3,5-dihydro-1H-1,4-benzodiazepin-2-one Traditional Name: 5-(4-fluorophenyl)-4-isovaleryl-7-methyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one Formula: C21H23FN2O2 MolecularWeight: 354.417923

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC(=O)CN(C2C3=CC=C(C=C3)F)C(=O)CC(C)C

Isomeric SMILES

CC1=CC2=C(C=C1)NC(=O)CN(C2C3=CC=C(C=C3)F)C(=O)CC(C)C

InChI

InChI=1S/C21H23FN2O2/c1-13(2)10-20(26)24-12-19(25)23-18-9-4-14(3)11-17(18)21(24)15-5-7-16(22)8-6-15/h4-9,11,13,21H,10,12H2,1-3H3,(H,23,25)