3-[(3-chloranyl-4-methyl-phenyl)amino]-2-[[3-(4-methylphenyl)-1-phenyl-pyrazol-4-yl]methyl]prop-2-enenitrile

Systemtic Name: 3-[(3-chloranyl-4-methyl-phenyl)amino]-2-[[3-(4-methylphenyl)-1-phenyl-pyrazol-4-yl]methyl]prop-2-enenitrile Openeye Name: 3-(3-chloro-4-methyl-anilino)-2-[[1-phenyl-3-(p-tolyl)pyrazol-4-yl]methyl]prop-2-enenitrile CAS Name: 3-(3-chloro-4-methylanilino)-2-[[3-(4-methylphenyl)-1-phenyl-4-pyrazolyl]methyl]-2-propenenitrile IUPAC Name: 3-(3-chloro-4-methylanilino)-2-[[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methyl]prop-2-enenitrile Traditional Name: 3-(3-chloro-4-methyl-anilino)-2-[[1-phenyl-3-(p-tolyl)pyrazol-4-yl]methyl]acrylonitrile Formula: C27H23ClN4 MolecularWeight: 438.95132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C=C2CC(=CNC3=CC(=C(C=C3)C)Cl)C#N)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C=C2CC(=CNC3=CC(=C(C=C3)C)Cl)C#N)C4=CC=CC=C4

InChI

InChI=1S/C27H23ClN4/c1-19-8-11-22(12-9-19)27-23(18-32(31-27)25-6-4-3-5-7-25)14-21(16-29)17-30-24-13-10-20(2)26(28)15-24/h3-13,15,17-18,30H,14H2,1-2H3