3,4-dimethoxy-N-[4-oxidanylidene-1-(thiophen-3-ylmethyl)-3H-phthalazin-6-yl]benzamide

Systemtic Name: 3,4-dimethoxy-N-[4-oxidanylidene-1-(thiophen-3-ylmethyl)-3H-phthalazin-6-yl]benzamide Openeye Name: 3,4-dimethoxy-N-[4-oxo-1-(3-thienylmethyl)-3H-phthalazin-6-yl]benzamide CAS Name: 3,4-dimethoxy-N-[4-oxo-1-(3-thiophenylmethyl)-3H-phthalazin-6-yl]benzamide IUPAC Name: 3,4-dimethoxy-N-[4-oxo-1-(thiophen-3-ylmethyl)-3H-phthalazin-6-yl]benzamide Traditional Name: N-[4-keto-1-(3-thenyl)-3H-phthalazin-6-yl]-3,4-dimethoxy-benzamide Formula: C22H19N3O4S MolecularWeight: 421.46896

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2=CC3=C(C=C2)C(=NNC3=O)CC4=CSC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2=CC3=C(C=C2)C(=NNC3=O)CC4=CSC=C4)OC

InChI

InChI=1S/C22H19N3O4S/c1-28-19-6-3-14(10-20(19)29-2)21(26)23-15-4-5-16-17(11-15)22(27)25-24-18(16)9-13-7-8-30-12-13/h3-8,10-12H,9H2,1-2H3,(H,23,26)(H,25,27)