2-[2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-4-(pyridin-4-ylmethyl)phthalazin-1-one

Systemtic Name: 2-[2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-4-(pyridin-4-ylmethyl)phthalazin-1-one Openeye Name: 2-[2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxo-ethyl]-4-(4-pyridylmethyl)phthalazin-1-one CAS Name: 2-[2-[4-(2,5-dimethylphenyl)-1-piperazinyl]-2-oxoethyl]-4-(pyridin-4-ylmethyl)-1-phthalazinone IUPAC Name: 2-[2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-4-(pyridin-4-ylmethyl)phthalazin-1-one Traditional Name: 2-[2-[4-(2,5-dimethylphenyl)piperazino]-2-keto-ethyl]-4-(4-pyridylmethyl)phthalazin-1-one Formula: C28H29N5O2 MolecularWeight: 467.56216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2CCN(CC2)C(=O)CN3C(=O)C4=CC=CC=C4C(=N3)CC5=CC=NC=C5

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2CCN(CC2)C(=O)CN3C(=O)C4=CC=CC=C4C(=N3)CC5=CC=NC=C5

InChI

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