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

Systemtic Name: N-(4-methoxyphenyl)-4-oxidanylidene-3-pentyl-phthalazine-1-carboxamide Openeye Name: N-(4-methoxyphenyl)-4-oxo-3-pentyl-phthalazine-1-carboxamide CAS Name: N-(4-methoxyphenyl)-4-oxo-3-pentyl-1-phthalazinecarboxamide IUPAC Name: N-(4-methoxyphenyl)-4-oxo-3-pentylphthalazine-1-carboxamide Traditional Name: 3-amyl-4-keto-N-(4-methoxyphenyl)phthalazine-1-carboxamide Formula: C21H23N3O3 MolecularWeight: 365.42562

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O3/c1-3-4-7-14-24-21(26)18-9-6-5-8-17(18)19(23-24)20(25)22-15-10-12-16(27-2)13-11-15/h5-6,8-13H,3-4,7,14H2,1-2H3,(H,22,25)