2-[4-[3-[4-(4-methylphenyl)-1-oxidanylidene-phthalazin-2-yl]-2-oxidanyl-propoxy]phenyl]ethanenitrile

Systemtic Name: 2-[4-[3-[4-(4-methylphenyl)-1-oxidanylidene-phthalazin-2-yl]-2-oxidanyl-propoxy]phenyl]ethanenitrile Openeye Name: 2-[4-[2-hydroxy-3-[1-oxo-4-(p-tolyl)phthalazin-2-yl]propoxy]phenyl]acetonitrile CAS Name: 2-[4-[2-hydroxy-3-[4-(4-methylphenyl)-1-oxo-2-phthalazinyl]propoxy]phenyl]acetonitrile IUPAC Name: 2-[4-[2-hydroxy-3-[4-(4-methylphenyl)-1-oxophthalazin-2-yl]propoxy]phenyl]acetonitrile Traditional Name: 2-[4-[2-hydroxy-3-[1-keto-4-(p-tolyl)phthalazin-2-yl]propoxy]phenyl]acetonitrile Formula: C26H23N3O3 MolecularWeight: 425.47912

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)CC(COC4=CC=C(C=C4)CC#N)O

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)CC(COC4=CC=C(C=C4)CC#N)O

InChI

InChI=1S/C26H23N3O3/c1-18-6-10-20(11-7-18)25-23-4-2-3-5-24(23)26(31)29(28-25)16-21(30)17-32-22-12-8-19(9-13-22)14-15-27/h2-13,21,30H,14,16-17H2,1H3