(6-chloranylimidazo[1,2-a]pyridin-2-yl)methyl 4-oxidanylidene-3-pentyl-phthalazine-1-carboxylate

Systemtic Name: (6-chloranylimidazo[1,2-a]pyridin-2-yl)methyl 4-oxidanylidene-3-pentyl-phthalazine-1-carboxylate Openeye Name: (6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 4-oxo-3-pentyl-phthalazine-1-carboxylate CAS Name: 4-oxo-3-pentyl-1-phthalazinecarboxylic acid (6-chloro-2-imidazo[1,2-a]pyridinyl)methyl ester IUPAC Name: (6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 4-oxo-3-pentylphthalazine-1-carboxylate Traditional Name: 3-amyl-4-keto-phthalazine-1-carboxylic acid (6-chloroimidazo[1,2-a]pyridin-2-yl)methyl ester Formula: C22H21ClN4O3 MolecularWeight: 424.88014

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC3=CN4C=C(C=CC4=N3)Cl

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC3=CN4C=C(C=CC4=N3)Cl

InChI

InChI=1S/C22H21ClN4O3/c1-2-3-6-11-27-21(28)18-8-5-4-7-17(18)20(25-27)22(29)30-14-16-13-26-12-15(23)9-10-19(26)24-16/h4-5,7-10,12-13H,2-3,6,11,14H2,1H3