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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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