2-[1-oxidanylidene-4-(pyridin-3-ylmethyl)phthalazin-2-yl]-N-(thiophen-2-ylmethyl)ethanamide

Systemtic Name: 2-[1-oxidanylidene-4-(pyridin-3-ylmethyl)phthalazin-2-yl]-N-(thiophen-2-ylmethyl)ethanamide Openeye Name: 2-[1-oxo-4-(3-pyridylmethyl)phthalazin-2-yl]-N-(2-thienylmethyl)acetamide CAS Name: 2-[1-oxo-4-(3-pyridinylmethyl)-2-phthalazinyl]-N-(thiophen-2-ylmethyl)acetamide IUPAC Name: 2-[1-oxo-4-(pyridin-3-ylmethyl)phthalazin-2-yl]-N-(thiophen-2-ylmethyl)acetamide Traditional Name: 2-[1-keto-4-(3-pyridylmethyl)phthalazin-2-yl]-N-(2-thenyl)acetamide Formula: C21H18N4O2S MolecularWeight: 390.45822

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN(C2=O)CC(=O)NCC3=CC=CS3)CC4=CN=CC=C4

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN(C2=O)CC(=O)NCC3=CC=CS3)CC4=CN=CC=C4

InChI

InChI=1S/C21H18N4O2S/c26-20(23-13-16-6-4-10-28-16)14-25-21(27)18-8-2-1-7-17(18)19(24-25)11-15-5-3-9-22-12-15/h1-10,12H,11,13-14H2,(H,23,26)