1-(4-methoxyphenyl)-2-[3,4,5,6-tetrahydro-2H-azepin-7-yl-[3-(trifluoromethyl)phenyl]amino]ethanone

Systemtic Name: 1-(4-methoxyphenyl)-2-[3,4,5,6-tetrahydro-2H-azepin-7-yl-[3-(trifluoromethyl)phenyl]amino]ethanone Openeye Name: 1-(4-methoxyphenyl)-2-[N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-3-(trifluoromethyl)anilino]ethanone CAS Name: 1-(4-methoxyphenyl)-2-[N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-3-(trifluoromethyl)anilino]ethanone IUPAC Name: 1-(4-methoxyphenyl)-2-[N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-3-(trifluoromethyl)anilino]ethanone Traditional Name: 1-(4-methoxyphenyl)-2-[N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-3-(trifluoromethyl)anilino]ethanone Formula: C22H23F3N2O2 MolecularWeight: 404.42543

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)CN(C2=NCCCCC2)C3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)CN(C2=NCCCCC2)C3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C22H23F3N2O2/c1-29-19-11-9-16(10-12-19)20(28)15-27(21-8-3-2-4-13-26-21)18-7-5-6-17(14-18)22(23,24)25/h5-7,9-12,14H,2-4,8,13,15H2,1H3