N-[1-(4-chloranylpyridin-2-yl)-3-(cyanomethyl)-3-phenyl-2-(1-pyridin-2-ylethyl)pyrazol-4-yl]prop-2-enamide

Systemtic Name: N-[1-(4-chloranylpyridin-2-yl)-3-(cyanomethyl)-3-phenyl-2-(1-pyridin-2-ylethyl)pyrazol-4-yl]prop-2-enamide Openeye Name: N-[1-(4-chloro-2-pyridyl)-3-(cyanomethyl)-3-phenyl-2-[1-(2-pyridyl)ethyl]pyrazol-4-yl]prop-2-enamide CAS Name: N-[1-(4-chloro-2-pyridinyl)-3-(cyanomethyl)-3-phenyl-2-[1-(2-pyridinyl)ethyl]-4-pyrazolyl]-2-propenamide IUPAC Name: N-[1-(4-chloropyridin-2-yl)-3-(cyanomethyl)-3-phenyl-2-(1-pyridin-2-ylethyl)pyrazol-4-yl]prop-2-enamide Traditional Name: N-[1-(4-chloro-2-pyridyl)-3-(cyanomethyl)-3-phenyl-2-[1-(2-pyridyl)ethyl]-3-pyrazolin-4-yl]acrylamide Formula: C26H23ClN6O MolecularWeight: 470.95342

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=N1)N2C(C(=CN2C3=NC=CC(=C3)Cl)NC(=O)C=C)(CC#N)C4=CC=CC=C4

Isomeric SMILES

CC(C1=CC=CC=N1)N2C(C(=CN2C3=NC=CC(=C3)Cl)NC(=O)C=C)(CC#N)C4=CC=CC=C4

InChI

InChI=1S/C26H23ClN6O/c1-3-25(34)31-23-18-32(24-17-21(27)12-16-30-24)33(19(2)22-11-7-8-15-29-22)26(23,13-14-28)20-9-5-4-6-10-20/h3-12,15-19H,1,13H2,2H3,(H,31,34)