4-(3,4-dimethylphenoxy)-5-piperidin-1-yl-benzene-1,2-dicarbonitrile

Systemtic Name: 4-(3,4-dimethylphenoxy)-5-piperidin-1-yl-benzene-1,2-dicarbonitrile Openeye Name: 4-(3,4-dimethylphenoxy)-5-(1-piperidyl)phthalonitrile CAS Name: 4-(3,4-dimethylphenoxy)-5-(1-piperidinyl)benzene-1,2-dicarbonitrile IUPAC Name: 4-(3,4-dimethylphenoxy)-5-piperidin-1-ylbenzene-1,2-dicarbonitrile Traditional Name: 4-(3,4-dimethylphenoxy)-5-piperidino-phthalonitrile Formula: C21H21N3O MolecularWeight: 331.41094

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OC2=C(C=C(C(=C2)C#N)C#N)N3CCCCC3)C

Isomeric SMILES

CC1=C(C=C(C=C1)OC2=C(C=C(C(=C2)C#N)C#N)N3CCCCC3)C

InChI

InChI=1S/C21H21N3O/c1-15-6-7-19(10-16(15)2)25-21-12-18(14-23)17(13-22)11-20(21)24-8-4-3-5-9-24/h6-7,10-12H,3-5,8-9H2,1-2H3