6-[(E)-2-(4-hydroxyphenyl)ethenyl]-2-pentyl-phthalazin-1-one

Systemtic Name: 6-[(E)-2-(4-hydroxyphenyl)ethenyl]-2-pentyl-phthalazin-1-one Openeye Name: 6-[(E)-2-(4-hydroxyphenyl)vinyl]-2-pentyl-phthalazin-1-one CAS Name: 6-[(E)-2-(4-hydroxyphenyl)ethenyl]-2-pentyl-1-phthalazinone IUPAC Name: 6-[(E)-2-(4-hydroxyphenyl)ethenyl]-2-pentylphthalazin-1-one Traditional Name: 2-amyl-6-[(E)-2-(4-hydroxyphenyl)vinyl]phthalazin-1-one Formula: C21H22N2O2 MolecularWeight: 334.41158

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=C(C=C(C=C2)C=CC3=CC=C(C=C3)O)C=N1

Isomeric SMILES

CCCCCN1C(=O)C2=C(C=C(C=C2)/C=C/C3=CC=C(C=C3)O)C=N1

InChI

InChI=1S/C21H22N2O2/c1-2-3-4-13-23-21(25)20-12-9-17(14-18(20)15-22-23)6-5-16-7-10-19(24)11-8-16/h5-12,14-15,24H,2-4,13H2,1H3/b6-5+