azepan-1-yl-[4-[5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanone

Systemtic Name: azepan-1-yl-[4-[5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanone Openeye Name: azepan-1-yl-[4-[5-(2-thienyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanone CAS Name: 1-azepanyl-[4-[5-thiophen-2-yl-3-(trifluoromethyl)-1-pyrazolyl]phenyl]methanone IUPAC Name: azepan-1-yl-[4-[5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanone Traditional Name: azepan-1-yl-[4-[5-(2-thienyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanone Formula: C21H20F3N3OS MolecularWeight: 419.46321

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2=CC=C(C=C2)N3C(=CC(=N3)C(F)(F)F)C4=CC=CS4

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=CC=C(C=C2)N3C(=CC(=N3)C(F)(F)F)C4=CC=CS4

InChI

InChI=1S/C21H20F3N3OS/c22-21(23,24)19-14-17(18-6-5-13-29-18)27(25-19)16-9-7-15(8-10-16)20(28)26-11-3-1-2-4-12-26/h5-10,13-14H,1-4,11-12H2