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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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