3-(3-chloranyl-4-methoxy-phenyl)-4-oxidanylidene-N-(pyridin-2-ylmethyl)phthalazine-1-carboxamide

Systemtic Name: 3-(3-chloranyl-4-methoxy-phenyl)-4-oxidanylidene-N-(pyridin-2-ylmethyl)phthalazine-1-carboxamide Openeye Name: 3-(3-chloro-4-methoxy-phenyl)-4-oxo-N-(2-pyridylmethyl)phthalazine-1-carboxamide CAS Name: 3-(3-chloro-4-methoxyphenyl)-4-oxo-N-(2-pyridinylmethyl)-1-phthalazinecarboxamide IUPAC Name: 3-(3-chloro-4-methoxyphenyl)-4-oxo-N-(pyridin-2-ylmethyl)phthalazine-1-carboxamide Traditional Name: 3-(3-chloro-4-methoxy-phenyl)-4-keto-N-(2-pyridylmethyl)phthalazine-1-carboxamide Formula: C22H17ClN4O3 MolecularWeight: 420.84838

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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)NCC4=CC=CC=N4)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)NCC4=CC=CC=N4)Cl

InChI

InChI=1S/C22H17ClN4O3/c1-30-19-10-9-15(12-18(19)23)27-22(29)17-8-3-2-7-16(17)20(26-27)21(28)25-13-14-6-4-5-11-24-14/h2-12H,13H2,1H3,(H,25,28)