4-[2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-2-oxidanylidene-ethyl]-2H-phthalazin-1-one

Systemtic Name: 4-[2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-2-oxidanylidene-ethyl]-2H-phthalazin-1-one Openeye Name: 4-[2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-2-oxo-ethyl]-2H-phthalazin-1-one CAS Name: 4-[2-[4-[(4-ethoxyphenyl)methyl]-1-piperazinyl]-2-oxoethyl]-2H-phthalazin-1-one IUPAC Name: 4-[2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-2-oxoethyl]-2H-phthalazin-1-one Traditional Name: 4-[2-[4-(4-ethoxybenzyl)piperazino]-2-keto-ethyl]-2H-phthalazin-1-one Formula: C23H26N4O3 MolecularWeight: 406.47754

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CN2CCN(CC2)C(=O)CC3=NNC(=O)C4=CC=CC=C43

Isomeric SMILES

CCOC1=CC=C(C=C1)CN2CCN(CC2)C(=O)CC3=NNC(=O)C4=CC=CC=C43

InChI

InChI=1S/C23H26N4O3/c1-2-30-18-9-7-17(8-10-18)16-26-11-13-27(14-12-26)22(28)15-21-19-5-3-4-6-20(19)23(29)25-24-21/h3-10H,2,11-16H2,1H3,(H,25,29)