4-[(3,4-dimethoxyphenyl)methyl]-2-(phenylcarbonyl)-1H-phthalazine-1-carbonitrile

Systemtic Name: 4-[(3,4-dimethoxyphenyl)methyl]-2-(phenylcarbonyl)-1H-phthalazine-1-carbonitrile Openeye Name: 2-benzoyl-4-[(3,4-dimethoxyphenyl)methyl]-1H-phthalazine-1-carbonitrile CAS Name: 2-benzoyl-4-[(3,4-dimethoxyphenyl)methyl]-1H-phthalazine-1-carbonitrile IUPAC Name: 2-benzoyl-4-[(3,4-dimethoxyphenyl)methyl]-1H-phthalazine-1-carbonitrile Traditional Name: 2-benzoyl-4-veratryl-1H-phthalazine-1-carbonitrile Formula: C25H21N3O3 MolecularWeight: 411.45254

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC2=NN(C(C3=CC=CC=C32)C#N)C(=O)C4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC2=NN(C(C3=CC=CC=C32)C#N)C(=O)C4=CC=CC=C4)OC

InChI

InChI=1S/C25H21N3O3/c1-30-23-13-12-17(15-24(23)31-2)14-21-19-10-6-7-11-20(19)22(16-26)28(27-21)25(29)18-8-4-3-5-9-18/h3-13,15,22H,14H2,1-2H3