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

Systemtic Name: 2-[4-[2-oxidanyl-3-(1-oxidanylidene-4-phenyl-phthalazin-2-yl)propoxy]phenyl]ethanenitrile Openeye Name: 2-[4-[2-hydroxy-3-(1-oxo-4-phenyl-phthalazin-2-yl)propoxy]phenyl]acetonitrile CAS Name: 2-[4-[2-hydroxy-3-(1-oxo-4-phenyl-2-phthalazinyl)propoxy]phenyl]acetonitrile IUPAC Name: 2-[4-[2-hydroxy-3-(1-oxo-4-phenylphthalazin-2-yl)propoxy]phenyl]acetonitrile Traditional Name: 2-[4-[2-hydroxy-3-(1-keto-4-phenyl-phthalazin-2-yl)propoxy]phenyl]acetonitrile Formula: C25H21N3O3 MolecularWeight: 411.45254

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H21N3O3/c26-15-14-18-10-12-21(13-11-18)31-17-20(29)16-28-25(30)23-9-5-4-8-22(23)24(27-28)19-6-2-1-3-7-19/h1-13,20,29H,14,16-17H2