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

Systemtic Name: 2-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-4-(pyridin-4-ylmethyl)phthalazin-1-one Openeye Name: 2-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxo-ethyl]-4-(4-pyridylmethyl)phthalazin-1-one CAS Name: 2-[2-[4-(3-methoxyphenyl)-1-piperazinyl]-2-oxoethyl]-4-(pyridin-4-ylmethyl)-1-phthalazinone IUPAC Name: 2-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-4-(pyridin-4-ylmethyl)phthalazin-1-one Traditional Name: 2-[2-keto-2-[4-(3-methoxyphenyl)piperazino]ethyl]-4-(4-pyridylmethyl)phthalazin-1-one Formula: C27H27N5O3 MolecularWeight: 469.53498

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2CCN(CC2)C(=O)CN3C(=O)C4=CC=CC=C4C(=N3)CC5=CC=NC=C5

Isomeric SMILES

COC1=CC=CC(=C1)N2CCN(CC2)C(=O)CN3C(=O)C4=CC=CC=C4C(=N3)CC5=CC=NC=C5

InChI

InChI=1S/C27H27N5O3/c1-35-22-6-4-5-21(18-22)30-13-15-31(16-14-30)26(33)19-32-27(34)24-8-3-2-7-23(24)25(29-32)17-20-9-11-28-12-10-20/h2-12,18H,13-17,19H2,1H3