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

Systemtic Name: methyl 4-[[4-[4-(5-cyanopyridin-2-yl)piperazin-1-yl]phthalazin-1-yl]methyl]benzoate Openeye Name: methyl 4-[[4-[4-(5-cyano-2-pyridyl)piperazin-1-yl]phthalazin-1-yl]methyl]benzoate CAS Name: 4-[[4-[4-(5-cyano-2-pyridinyl)-1-piperazinyl]-1-phthalazinyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-[4-(5-cyanopyridin-2-yl)piperazin-1-yl]phthalazin-1-yl]methyl]benzoate Traditional Name: 4-[[4-[4-(5-cyano-2-pyridyl)piperazino]phthalazin-1-yl]methyl]benzoic acid methyl ester Formula: C27H24N6O2 MolecularWeight: 464.51846

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CC2=NN=C(C3=CC=CC=C32)N4CCN(CC4)C5=NC=C(C=C5)C#N

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CC2=NN=C(C3=CC=CC=C32)N4CCN(CC4)C5=NC=C(C=C5)C#N

InChI

InChI=1S/C27H24N6O2/c1-35-27(34)21-9-6-19(7-10-21)16-24-22-4-2-3-5-23(22)26(31-30-24)33-14-12-32(13-15-33)25-11-8-20(17-28)18-29-25/h2-11,18H,12-16H2,1H3