4-[[4-[4-(5-cyanopyridin-2-yl)piperazin-1-yl]phthalazin-1-yl]methyl]benzoic acid

Systemtic Name: 4-[[4-[4-(5-cyanopyridin-2-yl)piperazin-1-yl]phthalazin-1-yl]methyl]benzoic acid Openeye Name: 4-[[4-[4-(5-cyano-2-pyridyl)piperazin-1-yl]phthalazin-1-yl]methyl]benzoic acid CAS Name: 4-[[4-[4-(5-cyano-2-pyridinyl)-1-piperazinyl]-1-phthalazinyl]methyl]benzoic acid IUPAC Name: 4-[[4-[4-(5-cyanopyridin-2-yl)piperazin-1-yl]phthalazin-1-yl]methyl]benzoic acid Traditional Name: 4-[[4-[4-(5-cyano-2-pyridyl)piperazino]phthalazin-1-yl]methyl]benzoic acid Formula: C26H22N6O2 MolecularWeight: 450.49188

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=C(C=C2)C#N)C3=NN=C(C4=CC=CC=C43)CC5=CC=C(C=C5)C(=O)O

Isomeric SMILES

C1CN(CCN1C2=NC=C(C=C2)C#N)C3=NN=C(C4=CC=CC=C43)CC5=CC=C(C=C5)C(=O)O

InChI

InChI=1S/C26H22N6O2/c27-16-19-7-10-24(28-17-19)31-11-13-32(14-12-31)25-22-4-2-1-3-21(22)23(29-30-25)15-18-5-8-20(9-6-18)26(33)34/h1-10,17H,11-15H2,(H,33,34)