2-[[4-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]methyl]-4-phenyl-phthalazin-1-one

Systemtic Name: 2-[[4-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]methyl]-4-phenyl-phthalazin-1-one Openeye Name: 2-[[4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]piperazin-1-yl]methyl]-4-phenyl-phthalazin-1-one CAS Name: 2-[[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-piperazinyl]methyl]-4-phenyl-1-phthalazinone IUPAC Name: 2-[[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]methyl]-4-phenylphthalazin-1-one Traditional Name: 2-[[4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]piperazino]methyl]-4-phenyl-phthalazin-1-one Formula: C25H21ClF3N5O MolecularWeight: 499.91535

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CN2C(=O)C3=CC=CC=C3C(=N2)C4=CC=CC=C4)C5=C(C=C(C=N5)C(F)(F)F)Cl

Isomeric SMILES

C1CN(CCN1CN2C(=O)C3=CC=CC=C3C(=N2)C4=CC=CC=C4)C5=C(C=C(C=N5)C(F)(F)F)Cl

InChI

InChI=1S/C25H21ClF3N5O/c26-21-14-18(25(27,28)29)15-30-23(21)33-12-10-32(11-13-33)16-34-24(35)20-9-5-4-8-19(20)22(31-34)17-6-2-1-3-7-17/h1-9,14-15H,10-13,16H2