N-(4-butylphenyl)-3-[5-chloranyl-1-(3-chlorophenyl)-3-methyl-pyrazol-4-yl]-2-cyano-prop-2-enamide

Systemtic Name: N-(4-butylphenyl)-3-[5-chloranyl-1-(3-chlorophenyl)-3-methyl-pyrazol-4-yl]-2-cyano-prop-2-enamide Openeye Name: N-(4-butylphenyl)-3-[5-chloro-1-(3-chlorophenyl)-3-methyl-pyrazol-4-yl]-2-cyano-prop-2-enamide CAS Name: N-(4-butylphenyl)-3-[5-chloro-1-(3-chlorophenyl)-3-methyl-4-pyrazolyl]-2-cyano-2-propenamide IUPAC Name: N-(4-butylphenyl)-3-[5-chloro-1-(3-chlorophenyl)-3-methylpyrazol-4-yl]-2-cyanoprop-2-enamide Traditional Name: N-(4-butylphenyl)-3-[5-chloro-1-(3-chlorophenyl)-3-methyl-pyrazol-4-yl]-2-cyano-acrylamide Formula: C24H22Cl2N4O MolecularWeight: 453.36368

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)C(=CC2=C(N(N=C2C)C3=CC(=CC=C3)Cl)Cl)C#N

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)C(=CC2=C(N(N=C2C)C3=CC(=CC=C3)Cl)Cl)C#N

InChI

InChI=1S/C24H22Cl2N4O/c1-3-4-6-17-9-11-20(12-10-17)28-24(31)18(15-27)13-22-16(2)29-30(23(22)26)21-8-5-7-19(25)14-21/h5,7-14H,3-4,6H2,1-2H3,(H,28,31)