N-[(2-methoxypyridin-3-yl)methyl]-4-oxidanylidene-3-pentyl-phthalazine-1-carboxamide

Systemtic Name: N-[(2-methoxypyridin-3-yl)methyl]-4-oxidanylidene-3-pentyl-phthalazine-1-carboxamide Openeye Name: N-[(2-methoxy-3-pyridyl)methyl]-4-oxo-3-pentyl-phthalazine-1-carboxamide CAS Name: N-[(2-methoxy-3-pyridinyl)methyl]-4-oxo-3-pentyl-1-phthalazinecarboxamide IUPAC Name: N-[(2-methoxypyridin-3-yl)methyl]-4-oxo-3-pentylphthalazine-1-carboxamide Traditional Name: 3-amyl-4-keto-N-[(2-methoxy-3-pyridyl)methyl]phthalazine-1-carboxamide Formula: C21H24N4O3 MolecularWeight: 380.44026

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O3/c1-3-4-7-13-25-21(27)17-11-6-5-10-16(17)18(24-25)19(26)23-14-15-9-8-12-22-20(15)28-2/h5-6,8-12H,3-4,7,13-14H2,1-2H3,(H,23,26)