(E)-N-(4-butylphenyl)-3-[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]-2-cyano-prop-2-enamide

Systemtic Name: (E)-N-(4-butylphenyl)-3-[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]-2-cyano-prop-2-enamide Openeye Name: (E)-N-(4-butylphenyl)-3-[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]-2-cyano-prop-2-enamide CAS Name: (E)-N-(4-butylphenyl)-3-[3-(4-chlorophenyl)-1-phenyl-4-pyrazolyl]-2-cyano-2-propenamide IUPAC Name: (E)-N-(4-butylphenyl)-3-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-2-cyanoprop-2-enamide Traditional Name: (E)-N-(4-butylphenyl)-3-[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]-2-cyano-acrylamide Formula: C29H25ClN4O MolecularWeight: 480.988

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)C(=CC2=CN(N=C2C3=CC=C(C=C3)Cl)C4=CC=CC=C4)C#N

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)/C(=C/C2=CN(N=C2C3=CC=C(C=C3)Cl)C4=CC=CC=C4)/C#N

InChI

InChI=1S/C29H25ClN4O/c1-2-3-7-21-10-16-26(17-11-21)32-29(35)23(19-31)18-24-20-34(27-8-5-4-6-9-27)33-28(24)22-12-14-25(30)15-13-22/h4-6,8-18,20H,2-3,7H2,1H3,(H,32,35)/b23-18+