2-pentyl-4-[[4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl]carbonyl]phthalazin-1-one

Systemtic Name: 2-pentyl-4-[[4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl]carbonyl]phthalazin-1-one Openeye Name: 2-pentyl-4-[4-[5-(trifluoromethyl)-2-pyridyl]-1,4-diazepane-1-carbonyl]phthalazin-1-one CAS Name: 4-[oxo-[4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]methyl]-2-pentyl-1-phthalazinone IUPAC Name: 2-pentyl-4-[4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepane-1-carbonyl]phthalazin-1-one Traditional Name: 2-amyl-4-[4-[5-(trifluoromethyl)-2-pyridyl]-1,4-diazepane-1-carbonyl]phthalazin-1-one 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)N3CCCN(CC3)C4=NC=C(C=C4)C(F)(F)F

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCCN(CC3)C4=NC=C(C=C4)C(F)(F)F

InChI

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