3-hexyl-N-(4-methylphenyl)-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: 3-hexyl-N-(4-methylphenyl)-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-hexyl-4-oxo-N-(p-tolyl)phthalazine-1-carboxamide CAS Name: 3-hexyl-N-(4-methylphenyl)-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-hexyl-N-(4-methylphenyl)-4-oxophthalazine-1-carboxamide Traditional Name: 3-hexyl-4-keto-N-(p-tolyl)phthalazine-1-carboxamide Formula: C22H25N3O2 MolecularWeight: 363.4528

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC=C(C=C3)C

Isomeric SMILES

CCCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC=C(C=C3)C

InChI

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