N-[[2-methoxy-5-(3-methyl-4-oxidanylidene-phthalazin-1-yl)phenyl]methyl]thiophene-2-carboxamide

Systemtic Name: N-[[2-methoxy-5-(3-methyl-4-oxidanylidene-phthalazin-1-yl)phenyl]methyl]thiophene-2-carboxamide Openeye Name: N-[[2-methoxy-5-(3-methyl-4-oxo-phthalazin-1-yl)phenyl]methyl]thiophene-2-carboxamide CAS Name: N-[[2-methoxy-5-(3-methyl-4-oxo-1-phthalazinyl)phenyl]methyl]-2-thiophenecarboxamide IUPAC Name: N-[[2-methoxy-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]methyl]thiophene-2-carboxamide Traditional Name: N-[5-(4-keto-3-methyl-phthalazin-1-yl)-2-methoxy-benzyl]thiophene-2-carboxamide Formula: C22H19N3O3S MolecularWeight: 405.46956

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C3=CC(=C(C=C3)OC)CNC(=O)C4=CC=CS4

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C3=CC(=C(C=C3)OC)CNC(=O)C4=CC=CS4

InChI

InChI=1S/C22H19N3O3S/c1-25-22(27)17-7-4-3-6-16(17)20(24-25)14-9-10-18(28-2)15(12-14)13-23-21(26)19-8-5-11-29-19/h3-12H,13H2,1-2H3,(H,23,26)