2-(4-ethoxyphenyl)-4-(4-phenylpiperazin-1-yl)carbonyl-phthalazin-1-one

Systemtic Name: 2-(4-ethoxyphenyl)-4-(4-phenylpiperazin-1-yl)carbonyl-phthalazin-1-one Openeye Name: 2-(4-ethoxyphenyl)-4-(4-phenylpiperazine-1-carbonyl)phthalazin-1-one CAS Name: 2-(4-ethoxyphenyl)-4-[oxo-(4-phenyl-1-piperazinyl)methyl]-1-phthalazinone IUPAC Name: 2-(4-ethoxyphenyl)-4-(4-phenylpiperazine-1-carbonyl)phthalazin-1-one Traditional Name: 4-(4-phenylpiperazine-1-carbonyl)-2-p-phenetyl-phthalazin-1-one Formula: C27H26N4O3 MolecularWeight: 454.52034

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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=C5

Isomeric SMILES

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

InChI

InChI=1S/C27H26N4O3/c1-2-34-22-14-12-21(13-15-22)31-26(32)24-11-7-6-10-23(24)25(28-31)27(33)30-18-16-29(17-19-30)20-8-4-3-5-9-20/h3-15H,2,16-19H2,1H3