tradipitant

CAS: 622370-35-8

Formula: C28H16ClF6N5O

SMILES: FC(F)(F)C1=CC(=CC(CN2N=NC(=C2C2=CC=NC=C2)C2=NC=CC=C2C(=O)C2=CC=CC=C2Cl)=C1)C(F)(F)F

IUPAC: 2-(1-{[3,5-bis(trifluoromethyl)phenyl]methyl}-5-(pyridin-4-yl)-1H-1,2,3-triazol-4-yl)-3-(2-chlorobenzoyl)pyridine

InChI: InChI=1S/C28H16ClF6N5O/c29-22-6-2-1-4-20(22)26(41)21-5-3-9-37-23(21)24-25(17-7-10-36-11-8-17)40(39-38-24)15-16-12-18(27(30,31)32)14-19(13-16)28(33,34)35/h1-14H,15H2

Composition: C (57.20%), H (2.74%), Cl (6.03%), F (19.39%), N (11.91%), O (2.72%)

Molar Mass: 587.91

Atom Count: 57

Heavy Atom Count: 41