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

Systemtic Name: 3-(4-methoxyphenyl)-4-oxidanylidene-N-[2-oxidanylidene-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]phthalazine-1-carboxamide Openeye Name: 3-(4-methoxyphenyl)-4-oxo-N-[2-oxo-2-[4-(2-pyridyl)piperazin-1-yl]ethyl]phthalazine-1-carboxamide CAS Name: 3-(4-methoxyphenyl)-4-oxo-N-[2-oxo-2-[4-(2-pyridinyl)-1-piperazinyl]ethyl]-1-phthalazinecarboxamide IUPAC Name: 3-(4-methoxyphenyl)-4-oxo-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]phthalazine-1-carboxamide Traditional Name: 4-keto-N-[2-keto-2-[4-(2-pyridyl)piperazino]ethyl]-3-(4-methoxyphenyl)phthalazine-1-carboxamide Formula: C27H26N6O4 MolecularWeight: 498.53314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H26N6O4/c1-37-20-11-9-19(10-12-20)33-27(36)22-7-3-2-6-21(22)25(30-33)26(35)29-18-24(34)32-16-14-31(15-17-32)23-8-4-5-13-28-23/h2-13H,14-18H2,1H3,(H,29,35)