3-(4-pyridin-4-ylpiperidin-1-yl)-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazine

Systemtic Name: 3-(4-pyridin-4-ylpiperidin-1-yl)-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazine Openeye Name: 3-[4-(4-pyridyl)-1-piperidyl]-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazine CAS Name: 3-(4-pyridin-4-yl-1-piperidinyl)-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazine IUPAC Name: 3-(4-pyridin-4-ylpiperidin-1-yl)-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazine Traditional Name: 3-[4-(4-pyridyl)piperidino]-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazine Formula: C20H18F3N5 MolecularWeight: 385.38563

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=CC=NC=C2)C3=NC(=CN=N3)C4=CC=C(C=C4)C(F)(F)F

Isomeric SMILES

C1CN(CCC1C2=CC=NC=C2)C3=NC(=CN=N3)C4=CC=C(C=C4)C(F)(F)F

InChI

InChI=1S/C20H18F3N5/c21-20(22,23)17-3-1-16(2-4-17)18-13-25-27-19(26-18)28-11-7-15(8-12-28)14-5-9-24-10-6-14/h1-6,9-10,13,15H,7-8,11-12H2