3-[1-(4-methoxyphenyl)-4-(4-methylphenyl)pyrazol-3-yl]-2-(3-methylphenyl)propanenitrile

Systemtic Name: 3-[1-(4-methoxyphenyl)-4-(4-methylphenyl)pyrazol-3-yl]-2-(3-methylphenyl)propanenitrile Openeye Name: 3-[1-(4-methoxyphenyl)-4-(p-tolyl)pyrazol-3-yl]-2-(m-tolyl)propanenitrile CAS Name: 3-[1-(4-methoxyphenyl)-4-(4-methylphenyl)-3-pyrazolyl]-2-(3-methylphenyl)propanenitrile IUPAC Name: 3-[1-(4-methoxyphenyl)-4-(4-methylphenyl)pyrazol-3-yl]-2-(3-methylphenyl)propanenitrile Traditional Name: 3-[1-(4-methoxyphenyl)-4-(p-tolyl)pyrazol-3-yl]-2-(m-tolyl)propionitrile Formula: C27H25N3O MolecularWeight: 407.5069

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CN(N=C2CC(C#N)C3=CC=CC(=C3)C)C4=CC=C(C=C4)OC

Isomeric SMILES

CC1=CC=C(C=C1)C2=CN(N=C2CC(C#N)C3=CC=CC(=C3)C)C4=CC=C(C=C4)OC

InChI

InChI=1S/C27H25N3O/c1-19-7-9-21(10-8-19)26-18-30(24-11-13-25(31-3)14-12-24)29-27(26)16-23(17-28)22-6-4-5-20(2)15-22/h4-15,18,23H,16H2,1-3H3