N-(4-chloranyl-2-methoxy-5-methyl-phenyl)-4-oxidanylidene-3-pentyl-phthalazine-1-carboxamide

Systemtic Name: N-(4-chloranyl-2-methoxy-5-methyl-phenyl)-4-oxidanylidene-3-pentyl-phthalazine-1-carboxamide Openeye Name: N-(4-chloro-2-methoxy-5-methyl-phenyl)-4-oxo-3-pentyl-phthalazine-1-carboxamide CAS Name: N-(4-chloro-2-methoxy-5-methylphenyl)-4-oxo-3-pentyl-1-phthalazinecarboxamide IUPAC Name: N-(4-chloro-2-methoxy-5-methylphenyl)-4-oxo-3-pentylphthalazine-1-carboxamide Traditional Name: 3-amyl-N-(4-chloro-2-methoxy-5-methyl-phenyl)-4-keto-phthalazine-1-carboxamide Formula: C22H24ClN3O3 MolecularWeight: 413.89726

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24ClN3O3/c1-4-5-8-11-26-22(28)16-10-7-6-9-15(16)20(25-26)21(27)24-18-12-14(2)17(23)13-19(18)29-3/h6-7,9-10,12-13H,4-5,8,11H2,1-3H3,(H,24,27)