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

Systemtic Name: 3-hexyl-N-[(4-methylphenyl)methyl]-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-hexyl-4-oxo-N-(p-tolylmethyl)phthalazine-1-carboxamide CAS Name: 3-hexyl-N-[(4-methylphenyl)methyl]-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-hexyl-N-[(4-methylphenyl)methyl]-4-oxophthalazine-1-carboxamide Traditional Name: 3-hexyl-4-keto-N-(4-methylbenzyl)phthalazine-1-carboxamide Formula: C23H27N3O2 MolecularWeight: 377.47938

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCC3=CC=C(C=C3)C

Isomeric SMILES

CCCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCC3=CC=C(C=C3)C

InChI

InChI=1S/C23H27N3O2/c1-3-4-5-8-15-26-23(28)20-10-7-6-9-19(20)21(25-26)22(27)24-16-18-13-11-17(2)12-14-18/h6-7,9-14H,3-5,8,15-16H2,1-2H3,(H,24,27)