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

Systemtic Name: (E)-N-[4-(cyanomethyl)phenyl]-3-(1-phenyl-3-pyridin-3-yl-pyrazol-4-yl)prop-2-enamide Openeye Name: (E)-N-[4-(cyanomethyl)phenyl]-3-[1-phenyl-3-(3-pyridyl)pyrazol-4-yl]prop-2-enamide CAS Name: (E)-N-[4-(cyanomethyl)phenyl]-3-[1-phenyl-3-(3-pyridinyl)-4-pyrazolyl]-2-propenamide IUPAC Name: (E)-N-[4-(cyanomethyl)phenyl]-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enamide Traditional Name: (E)-N-[4-(cyanomethyl)phenyl]-3-[1-phenyl-3-(3-pyridyl)pyrazol-4-yl]acrylamide Formula: C25H19N5O MolecularWeight: 405.45126

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CN=CC=C3)C=CC(=O)NC4=CC=C(C=C4)CC#N

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CN=CC=C3)/C=C/C(=O)NC4=CC=C(C=C4)CC#N

InChI

InChI=1S/C25H19N5O/c26-15-14-19-8-11-22(12-9-19)28-24(31)13-10-21-18-30(23-6-2-1-3-7-23)29-25(21)20-5-4-16-27-17-20/h1-13,16-18H,14H2,(H,28,31)/b13-10+