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

Systemtic Name: N-[2-(dimethylamino)-2-thiophen-2-yl-ethyl]-4-oxidanylidene-3-propyl-phthalazine-1-carboxamide Openeye Name: N-[2-(dimethylamino)-2-(2-thienyl)ethyl]-4-oxo-3-propyl-phthalazine-1-carboxamide CAS Name: N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-oxo-3-propyl-1-phthalazinecarboxamide IUPAC Name: N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-oxo-3-propylphthalazine-1-carboxamide Traditional Name: N-[2-(dimethylamino)-2-(2-thienyl)ethyl]-4-keto-3-propyl-phthalazine-1-carboxamide Formula: C20H24N4O2S MolecularWeight: 384.49516

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCC(C3=CC=CS3)N(C)C

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCC(C3=CC=CS3)N(C)C

InChI

InChI=1S/C20H24N4O2S/c1-4-11-24-20(26)15-9-6-5-8-14(15)18(22-24)19(25)21-13-16(23(2)3)17-10-7-12-27-17/h5-10,12,16H,4,11,13H2,1-3H3,(H,21,25)