2-(4-ethoxyphenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)carbonyl-phthalazin-1-one

Systemtic Name: 2-(4-ethoxyphenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)carbonyl-phthalazin-1-one Openeye Name: 2-(4-ethoxyphenyl)-4-[4-(2-pyridyl)piperazine-1-carbonyl]phthalazin-1-one CAS Name: 2-(4-ethoxyphenyl)-4-[oxo-[4-(2-pyridinyl)-1-piperazinyl]methyl]-1-phthalazinone IUPAC Name: 2-(4-ethoxyphenyl)-4-(4-pyridin-2-ylpiperazine-1-carbonyl)phthalazin-1-one Traditional Name: 2-p-phenetyl-4-[4-(2-pyridyl)piperazine-1-carbonyl]phthalazin-1-one Formula: C26H25N5O3 MolecularWeight: 455.5084

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)N4CCN(CC4)C5=CC=CC=N5

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)N4CCN(CC4)C5=CC=CC=N5

InChI

InChI=1S/C26H25N5O3/c1-2-34-20-12-10-19(11-13-20)31-25(32)22-8-4-3-7-21(22)24(28-31)26(33)30-17-15-29(16-18-30)23-9-5-6-14-27-23/h3-14H,2,15-18H2,1H3