4-(4-chloranyl-3,5-dimethyl-phenoxy)-5-piperidin-1-yl-benzene-1,2-dicarbonitrile

Systemtic Name: 4-(4-chloranyl-3,5-dimethyl-phenoxy)-5-piperidin-1-yl-benzene-1,2-dicarbonitrile Openeye Name: 4-(4-chloro-3,5-dimethyl-phenoxy)-5-(1-piperidyl)phthalonitrile CAS Name: 4-(4-chloro-3,5-dimethylphenoxy)-5-(1-piperidinyl)benzene-1,2-dicarbonitrile IUPAC Name: 4-(4-chloro-3,5-dimethylphenoxy)-5-piperidin-1-ylbenzene-1,2-dicarbonitrile Traditional Name: 4-(4-chloro-3,5-dimethyl-phenoxy)-5-piperidino-phthalonitrile Formula: C21H20ClN3O MolecularWeight: 365.856

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Cl)C)OC2=C(C=C(C(=C2)C#N)C#N)N3CCCCC3

Isomeric SMILES

CC1=CC(=CC(=C1Cl)C)OC2=C(C=C(C(=C2)C#N)C#N)N3CCCCC3

InChI

InChI=1S/C21H20ClN3O/c1-14-8-18(9-15(2)21(14)22)26-20-11-17(13-24)16(12-23)10-19(20)25-6-4-3-5-7-25/h8-11H,3-7H2,1-2H3