N-[4-(4-acetamido-2-fluoranyl-phenyl)-1,3-thiazol-2-yl]-4-oxidanylidene-3-pentyl-phthalazine-1-carboxamide

Systemtic Name: N-[4-(4-acetamido-2-fluoranyl-phenyl)-1,3-thiazol-2-yl]-4-oxidanylidene-3-pentyl-phthalazine-1-carboxamide Openeye Name: N-[4-(4-acetamido-2-fluoro-phenyl)thiazol-2-yl]-4-oxo-3-pentyl-phthalazine-1-carboxamide CAS Name: N-[4-(4-acetamido-2-fluorophenyl)-2-thiazolyl]-4-oxo-3-pentyl-1-phthalazinecarboxamide IUPAC Name: N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-4-oxo-3-pentylphthalazine-1-carboxamide Traditional Name: N-[4-(4-acetamido-2-fluoro-phenyl)thiazol-2-yl]-3-amyl-4-keto-phthalazine-1-carboxamide Formula: C25H24FN5O3S MolecularWeight: 493.553163

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=NC(=CS3)C4=C(C=C(C=C4)NC(=O)C)F

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=NC(=CS3)C4=C(C=C(C=C4)NC(=O)C)F

InChI

InChI=1S/C25H24FN5O3S/c1-3-4-7-12-31-24(34)18-9-6-5-8-17(18)22(30-31)23(33)29-25-28-21(14-35-25)19-11-10-16(13-20(19)26)27-15(2)32/h5-6,8-11,13-14H,3-4,7,12H2,1-2H3,(H,27,32)(H,28,29,33)