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

Systemtic Name: 3-(3-chloranyl-4-methoxy-phenyl)-4-oxidanylidene-N-[2-oxidanylidene-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]phthalazine-1-carboxamide Openeye Name: 3-(3-chloro-4-methoxy-phenyl)-4-oxo-N-[2-oxo-2-[4-(2-pyridyl)piperazin-1-yl]ethyl]phthalazine-1-carboxamide CAS Name: 3-(3-chloro-4-methoxyphenyl)-4-oxo-N-[2-oxo-2-[4-(2-pyridinyl)-1-piperazinyl]ethyl]-1-phthalazinecarboxamide IUPAC Name: 3-(3-chloro-4-methoxyphenyl)-4-oxo-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]phthalazine-1-carboxamide Traditional Name: 3-(3-chloro-4-methoxy-phenyl)-4-keto-N-[2-keto-2-[4-(2-pyridyl)piperazino]ethyl]phthalazine-1-carboxamide Formula: C27H25ClN6O4 MolecularWeight: 532.9782

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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)Cl

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)Cl

InChI

InChI=1S/C27H25ClN6O4/c1-38-22-10-9-18(16-21(22)28)34-27(37)20-7-3-2-6-19(20)25(31-34)26(36)30-17-24(35)33-14-12-32(13-15-33)23-8-4-5-11-29-23/h2-11,16H,12-15,17H2,1H3,(H,30,36)