2-cyano-N-(2,4-dichlorophenyl)-3-(3-methyl-1-phenyl-5-piperidin-1-yl-pyrazol-4-yl)prop-2-enamide

Systemtic Name: 2-cyano-N-(2,4-dichlorophenyl)-3-(3-methyl-1-phenyl-5-piperidin-1-yl-pyrazol-4-yl)prop-2-enamide Openeye Name: 2-cyano-N-(2,4-dichlorophenyl)-3-[3-methyl-1-phenyl-5-(1-piperidyl)pyrazol-4-yl]prop-2-enamide CAS Name: 2-cyano-N-(2,4-dichlorophenyl)-3-[3-methyl-1-phenyl-5-(1-piperidinyl)-4-pyrazolyl]-2-propenamide IUPAC Name: 2-cyano-N-(2,4-dichlorophenyl)-3-(3-methyl-1-phenyl-5-piperidin-1-ylpyrazol-4-yl)prop-2-enamide Traditional Name: 2-cyano-N-(2,4-dichlorophenyl)-3-(3-methyl-1-phenyl-5-piperidino-pyrazol-4-yl)acrylamide Formula: C25H23Cl2N5O MolecularWeight: 480.38902

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=C(C#N)C(=O)NC2=C(C=C(C=C2)Cl)Cl)N3CCCCC3)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1C=C(C#N)C(=O)NC2=C(C=C(C=C2)Cl)Cl)N3CCCCC3)C4=CC=CC=C4

InChI

InChI=1S/C25H23Cl2N5O/c1-17-21(14-18(16-28)24(33)29-23-11-10-19(26)15-22(23)27)25(31-12-6-3-7-13-31)32(30-17)20-8-4-2-5-9-20/h2,4-5,8-11,14-15H,3,6-7,12-13H2,1H3,(H,29,33)