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

Systemtic Name: N-(3-cyanophenyl)-3-hexyl-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-(3-cyanophenyl)-3-hexyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-(3-cyanophenyl)-3-hexyl-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-(3-cyanophenyl)-3-hexyl-4-oxophthalazine-1-carboxamide Traditional Name: N-(3-cyanophenyl)-3-hexyl-4-keto-phthalazine-1-carboxamide Formula: C22H22N4O2 MolecularWeight: 374.43568

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N4O2/c1-2-3-4-7-13-26-22(28)19-12-6-5-11-18(19)20(25-26)21(27)24-17-10-8-9-16(14-17)15-23/h5-6,8-12,14H,2-4,7,13H2,1H3,(H,24,27)