N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(1-oxidanylidene-4-thiophen-2-yl-phthalazin-2-yl)ethanamide

Systemtic Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(1-oxidanylidene-4-thiophen-2-yl-phthalazin-2-yl)ethanamide Openeye Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[1-oxo-4-(2-thienyl)phthalazin-2-yl]acetamide CAS Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(1-oxo-4-thiophen-2-yl-2-phthalazinyl)acetamide IUPAC Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(1-oxo-4-thiophen-2-ylphthalazin-2-yl)acetamide Traditional Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[1-keto-4-(2-thienyl)phthalazin-2-yl]acetamide Formula: C23H19N3O4S MolecularWeight: 433.47966

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NC(=O)CN3C(=O)C4=CC=CC=C4C(=N3)C5=CC=CS5)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NC(=O)CN3C(=O)C4=CC=CC=C4C(=N3)C5=CC=CS5)OC1

InChI

InChI=1S/C23H19N3O4S/c27-21(24-15-8-9-18-19(13-15)30-11-4-10-29-18)14-26-23(28)17-6-2-1-5-16(17)22(25-26)20-7-3-12-31-20/h1-3,5-9,12-13H,4,10-11,14H2,(H,24,27)