azepan-1-yl-[1-(4-methylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]methanone

Systemtic Name: azepan-1-yl-[1-(4-methylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]methanone Openeye Name: azepan-1-yl-[1-(p-tolyl)-5-(trifluoromethyl)pyrazol-4-yl]methanone CAS Name: 1-azepanyl-[1-(4-methylphenyl)-5-(trifluoromethyl)-4-pyrazolyl]methanone IUPAC Name: azepan-1-yl-[1-(4-methylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]methanone Traditional Name: azepan-1-yl-[1-(p-tolyl)-5-(trifluoromethyl)pyrazol-4-yl]methanone Formula: C18H20F3N3O MolecularWeight: 351.36611

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=C(C=N2)C(=O)N3CCCCCC3)C(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=C(C=N2)C(=O)N3CCCCCC3)C(F)(F)F

InChI

InChI=1S/C18H20F3N3O/c1-13-6-8-14(9-7-13)24-16(18(19,20)21)15(12-22-24)17(25)23-10-4-2-3-5-11-23/h6-9,12H,2-5,10-11H2,1H3