5-(2-fluorophenyl)-1-(1-methylpiperidin-4-yl)-8-(trifluoromethyl)-3H-1,4-benzodiazepin-2-one

Systemtic Name: 5-(2-fluorophenyl)-1-(1-methylpiperidin-4-yl)-8-(trifluoromethyl)-3H-1,4-benzodiazepin-2-one Openeye Name: 5-(2-fluorophenyl)-1-(1-methyl-4-piperidyl)-8-(trifluoromethyl)-3H-1,4-benzodiazepin-2-one CAS Name: 5-(2-fluorophenyl)-1-(1-methyl-4-piperidinyl)-8-(trifluoromethyl)-3H-1,4-benzodiazepin-2-one IUPAC Name: 5-(2-fluorophenyl)-1-(1-methylpiperidin-4-yl)-8-(trifluoromethyl)-3H-1,4-benzodiazepin-2-one Traditional Name: 5-(2-fluorophenyl)-1-(1-methyl-4-piperidyl)-8-(trifluoromethyl)-3H-1,4-benzodiazepin-2-one Formula: C22H21F4N3O MolecularWeight: 419.415253

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)N2C(=O)CN=C(C3=C2C=C(C=C3)C(F)(F)F)C4=CC=CC=C4F

Isomeric SMILES

CN1CCC(CC1)N2C(=O)CN=C(C3=C2C=C(C=C3)C(F)(F)F)C4=CC=CC=C4F

InChI

InChI=1S/C22H21F4N3O/c1-28-10-8-15(9-11-28)29-19-12-14(22(24,25)26)6-7-17(19)21(27-13-20(29)30)16-4-2-3-5-18(16)23/h2-7,12,15H,8-11,13H2,1H3