4-oxidanylidene-3-pentyl-N-[1-[5-(trifluoromethyl)pyridin-2-yl]piperidin-4-yl]phthalazine-1-carboxamide

Systemtic Name: 4-oxidanylidene-3-pentyl-N-[1-[5-(trifluoromethyl)pyridin-2-yl]piperidin-4-yl]phthalazine-1-carboxamide Openeye Name: 4-oxo-3-pentyl-N-[1-[5-(trifluoromethyl)-2-pyridyl]-4-piperidyl]phthalazine-1-carboxamide CAS Name: 4-oxo-3-pentyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]-4-piperidinyl]-1-phthalazinecarboxamide IUPAC Name: 4-oxo-3-pentyl-N-[1-[5-(trifluoromethyl)pyridin-2-yl]piperidin-4-yl]phthalazine-1-carboxamide Traditional Name: 3-amyl-4-keto-N-[1-[5-(trifluoromethyl)-2-pyridyl]-4-piperidyl]phthalazine-1-carboxamide Formula: C25H28F3N5O2 MolecularWeight: 487.51733

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3CCN(CC3)C4=NC=C(C=C4)C(F)(F)F

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3CCN(CC3)C4=NC=C(C=C4)C(F)(F)F

InChI

InChI=1S/C25H28F3N5O2/c1-2-3-6-13-33-24(35)20-8-5-4-7-19(20)22(31-33)23(34)30-18-11-14-32(15-12-18)21-10-9-17(16-29-21)25(26,27)28/h4-5,7-10,16,18H,2-3,6,11-15H2,1H3,(H,30,34)