N-[(4-butan-2-ylphenyl)-thiophen-2-yl-methyl]-2-(1-oxidanylidenephthalazin-2-yl)ethanamide

Systemtic Name: N-[(4-butan-2-ylphenyl)-thiophen-2-yl-methyl]-2-(1-oxidanylidenephthalazin-2-yl)ethanamide Openeye Name: 2-(1-oxophthalazin-2-yl)-N-[(4-sec-butylphenyl)-(2-thienyl)methyl]acetamide CAS Name: N-[(4-butan-2-ylphenyl)-thiophen-2-ylmethyl]-2-(1-oxo-2-phthalazinyl)acetamide IUPAC Name: N-[(4-butan-2-ylphenyl)-thiophen-2-ylmethyl]-2-(1-oxophthalazin-2-yl)acetamide Traditional Name: 2-(1-ketophthalazin-2-yl)-N-[(4-sec-butylphenyl)-(2-thienyl)methyl]acetamide Formula: C25H25N3O2S MolecularWeight: 431.5499

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)C(C2=CC=CS2)NC(=O)CN3C(=O)C4=CC=CC=C4C=N3

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)C(C2=CC=CS2)NC(=O)CN3C(=O)C4=CC=CC=C4C=N3

InChI

InChI=1S/C25H25N3O2S/c1-3-17(2)18-10-12-19(13-11-18)24(22-9-6-14-31-22)27-23(29)16-28-25(30)21-8-5-4-7-20(21)15-26-28/h4-15,17,24H,3,16H2,1-2H3,(H,27,29)