4-[2-[(2S)-4-[(3-methoxyphenyl)methyl]-2-methyl-piperazin-1-yl]-2-oxidanylidene-ethyl]-2H-phthalazin-1-one

Systemtic Name: 4-[2-[(2S)-4-[(3-methoxyphenyl)methyl]-2-methyl-piperazin-1-yl]-2-oxidanylidene-ethyl]-2H-phthalazin-1-one Openeye Name: 4-[2-[(2S)-4-[(3-methoxyphenyl)methyl]-2-methyl-piperazin-1-yl]-2-oxo-ethyl]-2H-phthalazin-1-one CAS Name: 4-[2-[(2S)-4-[(3-methoxyphenyl)methyl]-2-methyl-1-piperazinyl]-2-oxoethyl]-2H-phthalazin-1-one IUPAC Name: 4-[2-[(2S)-4-[(3-methoxyphenyl)methyl]-2-methylpiperazin-1-yl]-2-oxoethyl]-2H-phthalazin-1-one Traditional Name: 4-[2-keto-2-[(2S)-4-m-anisyl-2-methyl-piperazino]ethyl]-2H-phthalazin-1-one Formula: C23H26N4O3 MolecularWeight: 406.47754

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)CC2=NNC(=O)C3=CC=CC=C32)CC4=CC(=CC=C4)OC

Isomeric SMILES

C[C@H]1CN(CCN1C(=O)CC2=NNC(=O)C3=CC=CC=C32)CC4=CC(=CC=C4)OC

InChI

InChI=1S/C23H26N4O3/c1-16-14-26(15-17-6-5-7-18(12-17)30-2)10-11-27(16)22(28)13-21-19-8-3-4-9-20(19)23(29)25-24-21/h3-9,12,16H,10-11,13-15H2,1-2H3,(H,25,29)/t16-/m0/s1