6-[4-[7-chloranyl-4-[(4-fluorophenyl)methyl]phthalazin-1-yl]piperazin-1-yl]pyridine-3-carbonitrile

Systemtic Name: 6-[4-[7-chloranyl-4-[(4-fluorophenyl)methyl]phthalazin-1-yl]piperazin-1-yl]pyridine-3-carbonitrile Openeye Name: 6-[4-[7-chloro-4-[(4-fluorophenyl)methyl]phthalazin-1-yl]piperazin-1-yl]pyridine-3-carbonitrile CAS Name: 6-[4-[7-chloro-4-[(4-fluorophenyl)methyl]-1-phthalazinyl]-1-piperazinyl]-3-pyridinecarbonitrile IUPAC Name: 6-[4-[7-chloro-4-[(4-fluorophenyl)methyl]phthalazin-1-yl]piperazin-1-yl]pyridine-3-carbonitrile Traditional Name: 6-[4-[7-chloro-4-(4-fluorobenzyl)phthalazin-1-yl]piperazino]nicotinonitrile Formula: C25H20ClFN6 MolecularWeight: 458.917903

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=C(C=C2)C#N)C3=NN=C(C4=C3C=C(C=C4)Cl)CC5=CC=C(C=C5)F

Isomeric SMILES

C1CN(CCN1C2=NC=C(C=C2)C#N)C3=NN=C(C4=C3C=C(C=C4)Cl)CC5=CC=C(C=C5)F

InChI

InChI=1S/C25H20ClFN6/c26-19-4-7-21-22(14-19)25(31-30-23(21)13-17-1-5-20(27)6-2-17)33-11-9-32(10-12-33)24-8-3-18(15-28)16-29-24/h1-8,14,16H,9-13H2