2-[2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-4-(pyridin-3-ylmethyl)phthalazin-1-one

Systemtic Name: 2-[2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-4-(pyridin-3-ylmethyl)phthalazin-1-one Openeye Name: 2-[2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxo-ethyl]-4-(3-pyridylmethyl)phthalazin-1-one CAS Name: 2-[2-[4-(2,5-dimethylphenyl)-1-piperazinyl]-2-oxoethyl]-4-(3-pyridinylmethyl)-1-phthalazinone IUPAC Name: 2-[2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-4-(pyridin-3-ylmethyl)phthalazin-1-one Traditional Name: 2-[2-[4-(2,5-dimethylphenyl)piperazino]-2-keto-ethyl]-4-(3-pyridylmethyl)phthalazin-1-one Formula: C28H29N5O2 MolecularWeight: 467.56216

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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