3-(3,4-dimethoxyphenyl)-4-oxidanylidene-N-[2-oxidanylidene-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]phthalazine-1-carboxamide

Systemtic Name: 3-(3,4-dimethoxyphenyl)-4-oxidanylidene-N-[2-oxidanylidene-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]phthalazine-1-carboxamide Openeye Name: 3-(3,4-dimethoxyphenyl)-4-oxo-N-[2-oxo-2-[4-(2-pyridyl)piperazin-1-yl]ethyl]phthalazine-1-carboxamide CAS Name: 3-(3,4-dimethoxyphenyl)-4-oxo-N-[2-oxo-2-[4-(2-pyridinyl)-1-piperazinyl]ethyl]-1-phthalazinecarboxamide IUPAC Name: 3-(3,4-dimethoxyphenyl)-4-oxo-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]phthalazine-1-carboxamide Traditional Name: 3-(3,4-dimethoxyphenyl)-4-keto-N-[2-keto-2-[4-(2-pyridyl)piperazino]ethyl]phthalazine-1-carboxamide Formula: C28H28N6O5 MolecularWeight: 528.55912

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)NCC(=O)N4CCN(CC4)C5=CC=CC=N5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)NCC(=O)N4CCN(CC4)C5=CC=CC=N5)OC

InChI

InChI=1S/C28H28N6O5/c1-38-22-11-10-19(17-23(22)39-2)34-28(37)21-8-4-3-7-20(21)26(31-34)27(36)30-18-25(35)33-15-13-32(14-16-33)24-9-5-6-12-29-24/h3-12,17H,13-16,18H2,1-2H3,(H,30,36)