N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxidanylidene-N-(thiophen-2-ylmethyl)-3H-phthalazine-1-carboxamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxidanylidene-N-(thiophen-2-ylmethyl)-3H-phthalazine-1-carboxamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-N-(2-thienylmethyl)-3H-phthalazine-1-carboxamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-N-(thiophen-2-ylmethyl)-3H-phthalazine-1-carboxamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-N-(thiophen-2-ylmethyl)-3H-phthalazine-1-carboxamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-keto-N-(2-thenyl)-3H-phthalazine-1-carboxamide Formula: C22H17N3O4S MolecularWeight: 419.45308

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)N(CC3=CC=CS3)C(=O)C4=NNC(=O)C5=CC=CC=C54

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)N(CC3=CC=CS3)C(=O)C4=NNC(=O)C5=CC=CC=C54

InChI

InChI=1S/C22H17N3O4S/c26-21-17-6-2-1-5-16(17)20(23-24-21)22(27)25(13-15-4-3-11-30-15)14-7-8-18-19(12-14)29-10-9-28-18/h1-8,11-12H,9-10,13H2,(H,24,26)