N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-oxidanylidene-3-pentyl-phthalazine-1-carboxamide

Systemtic Name: N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-oxidanylidene-3-pentyl-phthalazine-1-carboxamide Openeye Name: N-[2-(2-methylthiazol-4-yl)ethyl]-4-oxo-3-pentyl-phthalazine-1-carboxamide CAS Name: N-[2-(2-methyl-4-thiazolyl)ethyl]-4-oxo-3-pentyl-1-phthalazinecarboxamide IUPAC Name: N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-oxo-3-pentylphthalazine-1-carboxamide Traditional Name: 3-amyl-4-keto-N-[2-(2-methylthiazol-4-yl)ethyl]phthalazine-1-carboxamide Formula: C20H24N4O2S MolecularWeight: 384.49516

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCCC3=CSC(=N3)C

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCCC3=CSC(=N3)C

InChI

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