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

Systemtic Name: 3-hexyl-N-(3-methoxyphenyl)-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-hexyl-N-(3-methoxyphenyl)-4-oxo-phthalazine-1-carboxamide CAS Name: 3-hexyl-N-(3-methoxyphenyl)-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-hexyl-N-(3-methoxyphenyl)-4-oxophthalazine-1-carboxamide Traditional Name: 3-hexyl-4-keto-N-(3-methoxyphenyl)phthalazine-1-carboxamide Formula: C22H25N3O3 MolecularWeight: 379.4522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O3/c1-3-4-5-8-14-25-22(27)19-13-7-6-12-18(19)20(24-25)21(26)23-16-10-9-11-17(15-16)28-2/h6-7,9-13,15H,3-5,8,14H2,1-2H3,(H,23,26)