N-(4-chloranyl-2,5-dimethoxy-phenyl)-4-oxidanylidene-3-pentyl-phthalazine-1-carboxamide

Systemtic Name: N-(4-chloranyl-2,5-dimethoxy-phenyl)-4-oxidanylidene-3-pentyl-phthalazine-1-carboxamide Openeye Name: N-(4-chloro-2,5-dimethoxy-phenyl)-4-oxo-3-pentyl-phthalazine-1-carboxamide CAS Name: N-(4-chloro-2,5-dimethoxyphenyl)-4-oxo-3-pentyl-1-phthalazinecarboxamide IUPAC Name: N-(4-chloro-2,5-dimethoxyphenyl)-4-oxo-3-pentylphthalazine-1-carboxamide Traditional Name: 3-amyl-N-(4-chloro-2,5-dimethoxy-phenyl)-4-keto-phthalazine-1-carboxamide Formula: C22H24ClN3O4 MolecularWeight: 429.89666

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC(=C(C=C3OC)Cl)OC

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC(=C(C=C3OC)Cl)OC

InChI

InChI=1S/C22H24ClN3O4/c1-4-5-8-11-26-22(28)15-10-7-6-9-14(15)20(25-26)21(27)24-17-13-18(29-2)16(23)12-19(17)30-3/h6-7,9-10,12-13H,4-5,8,11H2,1-3H3,(H,24,27)