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

Systemtic Name: 2-pentyl-4-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]carbonyl-phthalazin-1-one Openeye Name: 2-pentyl-4-[4-[5-(trifluoromethyl)-2-pyridyl]piperazine-1-carbonyl]phthalazin-1-one CAS Name: 4-[oxo-[4-[5-(trifluoromethyl)-2-pyridinyl]-1-piperazinyl]methyl]-2-pentyl-1-phthalazinone IUPAC Name: 2-pentyl-4-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazine-1-carbonyl]phthalazin-1-one Traditional Name: 2-amyl-4-[4-[5-(trifluoromethyl)-2-pyridyl]piperazine-1-carbonyl]phthalazin-1-one Formula: C24H26F3N5O2 MolecularWeight: 473.49075

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCN(CC3)C4=NC=C(C=C4)C(F)(F)F

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCN(CC3)C4=NC=C(C=C4)C(F)(F)F

InChI

InChI=1S/C24H26F3N5O2/c1-2-3-6-11-32-22(33)19-8-5-4-7-18(19)21(29-32)23(34)31-14-12-30(13-15-31)20-10-9-17(16-28-20)24(25,26)27/h4-5,7-10,16H,2-3,6,11-15H2,1H3