2-[2-[3-methyl-4-(4-methylphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-4-(pyridin-3-ylmethyl)phthalazin-1-one

Systemtic Name: 2-[2-[3-methyl-4-(4-methylphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-4-(pyridin-3-ylmethyl)phthalazin-1-one Openeye Name: 2-[2-[3-methyl-4-(p-tolyl)piperazin-1-yl]-2-oxo-ethyl]-4-(3-pyridylmethyl)phthalazin-1-one CAS Name: 2-[2-[3-methyl-4-(4-methylphenyl)-1-piperazinyl]-2-oxoethyl]-4-(3-pyridinylmethyl)-1-phthalazinone IUPAC Name: 2-[2-[3-methyl-4-(4-methylphenyl)piperazin-1-yl]-2-oxoethyl]-4-(pyridin-3-ylmethyl)phthalazin-1-one Traditional Name: 2-[2-keto-2-[3-methyl-4-(p-tolyl)piperazino]ethyl]-4-(3-pyridylmethyl)phthalazin-1-one Formula: C28H29N5O2 MolecularWeight: 467.56216

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C2=CC=C(C=C2)C)C(=O)CN3C(=O)C4=CC=CC=C4C(=N3)CC5=CN=CC=C5

Isomeric SMILES

CC1CN(CCN1C2=CC=C(C=C2)C)C(=O)CN3C(=O)C4=CC=CC=C4C(=N3)CC5=CN=CC=C5

InChI

InChI=1S/C28H29N5O2/c1-20-9-11-23(12-10-20)32-15-14-31(18-21(32)2)27(34)19-33-28(35)25-8-4-3-7-24(25)26(30-33)16-22-6-5-13-29-17-22/h3-13,17,21H,14-16,18-19H2,1-2H3