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

Systemtic Name: N-[(3-methoxyphenyl)methyl]-4-oxidanylidene-3-pentyl-phthalazine-1-carboxamide Openeye Name: N-[(3-methoxyphenyl)methyl]-4-oxo-3-pentyl-phthalazine-1-carboxamide CAS Name: N-[(3-methoxyphenyl)methyl]-4-oxo-3-pentyl-1-phthalazinecarboxamide IUPAC Name: N-[(3-methoxyphenyl)methyl]-4-oxo-3-pentylphthalazine-1-carboxamide Traditional Name: 3-amyl-4-keto-N-m-anisyl-phthalazine-1-carboxamide Formula: C22H25N3O3 MolecularWeight: 379.4522

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCC3=CC(=CC=C3)OC

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCC3=CC(=CC=C3)OC

InChI

InChI=1S/C22H25N3O3/c1-3-4-7-13-25-22(27)19-12-6-5-11-18(19)20(24-25)21(26)23-15-16-9-8-10-17(14-16)28-2/h5-6,8-12,14H,3-4,7,13,15H2,1-2H3,(H,23,26)