N-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxidanylidene-3-propyl-phthalazine-1-carboxamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxidanylidene-3-propyl-phthalazine-1-carboxamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-3-propyl-phthalazine-1-carboxamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-3-propyl-1-phthalazinecarboxamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-3-propylphthalazine-1-carboxamide Traditional Name: N-homoveratryl-4-keto-3-propyl-phthalazine-1-carboxamide Formula: C22H25N3O4 MolecularWeight: 395.4516

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C22H25N3O4/c1-4-13-25-22(27)17-8-6-5-7-16(17)20(24-25)21(26)23-12-11-15-9-10-18(28-2)19(14-15)29-3/h5-10,14H,4,11-13H2,1-3H3,(H,23,26)