N-[2-(dimethylamino)-2-thiophen-3-yl-ethyl]-4-oxidanylidene-3H-phthalazine-1-carboxamide

Systemtic Name: N-[2-(dimethylamino)-2-thiophen-3-yl-ethyl]-4-oxidanylidene-3H-phthalazine-1-carboxamide Openeye Name: N-[2-(dimethylamino)-2-(3-thienyl)ethyl]-4-oxo-3H-phthalazine-1-carboxamide CAS Name: N-[2-(dimethylamino)-2-(3-thiophenyl)ethyl]-4-oxo-3H-phthalazine-1-carboxamide IUPAC Name: N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-4-oxo-3H-phthalazine-1-carboxamide Traditional Name: N-[2-(dimethylamino)-2-(3-thienyl)ethyl]-4-keto-3H-phthalazine-1-carboxamide Formula: C17H18N4O2S MolecularWeight: 342.41542

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(CNC(=O)C1=NNC(=O)C2=CC=CC=C21)C3=CSC=C3

Isomeric SMILES

CN(C)C(CNC(=O)C1=NNC(=O)C2=CC=CC=C21)C3=CSC=C3

InChI

InChI=1S/C17H18N4O2S/c1-21(2)14(11-7-8-24-10-11)9-18-17(23)15-12-5-3-4-6-13(12)16(22)20-19-15/h3-8,10,14H,9H2,1-2H3,(H,18,23)(H,20,22)