4-[2-methyl-4-(4-methylphenyl)phenoxy]-5-piperidin-1-yl-benzene-1,2-dicarbonitrile

Systemtic Name: 4-[2-methyl-4-(4-methylphenyl)phenoxy]-5-piperidin-1-yl-benzene-1,2-dicarbonitrile Openeye Name: 4-[2-methyl-4-(p-tolyl)phenoxy]-5-(1-piperidyl)phthalonitrile CAS Name: 4-[2-methyl-4-(4-methylphenyl)phenoxy]-5-(1-piperidinyl)benzene-1,2-dicarbonitrile IUPAC Name: 4-[2-methyl-4-(4-methylphenyl)phenoxy]-5-piperidin-1-ylbenzene-1,2-dicarbonitrile Traditional Name: 4-[2-methyl-4-(p-tolyl)phenoxy]-5-piperidino-phthalonitrile Formula: C27H25N3O MolecularWeight: 407.5069

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC(=C(C=C2)OC3=C(C=C(C(=C3)C#N)C#N)N4CCCCC4)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC(=C(C=C2)OC3=C(C=C(C(=C3)C#N)C#N)N4CCCCC4)C

InChI

InChI=1S/C27H25N3O/c1-19-6-8-21(9-7-19)22-10-11-26(20(2)14-22)31-27-16-24(18-29)23(17-28)15-25(27)30-12-4-3-5-13-30/h6-11,14-16H,3-5,12-13H2,1-2H3