N-(2,5-dimethylphenyl)-4-oxidanylidene-3-pentyl-phthalazine-1-carboxamide

Systemtic Name: N-(2,5-dimethylphenyl)-4-oxidanylidene-3-pentyl-phthalazine-1-carboxamide Openeye Name: N-(2,5-dimethylphenyl)-4-oxo-3-pentyl-phthalazine-1-carboxamide CAS Name: N-(2,5-dimethylphenyl)-4-oxo-3-pentyl-1-phthalazinecarboxamide IUPAC Name: N-(2,5-dimethylphenyl)-4-oxo-3-pentylphthalazine-1-carboxamide Traditional Name: 3-amyl-N-(2,5-dimethylphenyl)-4-keto-phthalazine-1-carboxamide Formula: C22H25N3O2 MolecularWeight: 363.4528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=C(C=CC(=C3)C)C

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=C(C=CC(=C3)C)C

InChI

InChI=1S/C22H25N3O2/c1-4-5-8-13-25-22(27)18-10-7-6-9-17(18)20(24-25)21(26)23-19-14-15(2)11-12-16(19)3/h6-7,9-12,14H,4-5,8,13H2,1-3H3,(H,23,26)