(E)-3-[4-(cyanomethoxy)-3-methoxy-phenyl]-N-[(2-pyrazol-1-ylpyridin-3-yl)methyl]prop-2-enamide

Systemtic Name: (E)-3-[4-(cyanomethoxy)-3-methoxy-phenyl]-N-[(2-pyrazol-1-ylpyridin-3-yl)methyl]prop-2-enamide Openeye Name: (E)-3-[4-(cyanomethoxy)-3-methoxy-phenyl]-N-[(2-pyrazol-1-yl-3-pyridyl)methyl]prop-2-enamide CAS Name: (E)-3-[4-(cyanomethoxy)-3-methoxyphenyl]-N-[[2-(1-pyrazolyl)-3-pyridinyl]methyl]-2-propenamide IUPAC Name: (E)-3-[4-(cyanomethoxy)-3-methoxyphenyl]-N-[(2-pyrazol-1-ylpyridin-3-yl)methyl]prop-2-enamide Traditional Name: (E)-3-[4-(cyanomethoxy)-3-methoxy-phenyl]-N-[(2-pyrazol-1-yl-3-pyridyl)methyl]acrylamide Formula: C21H19N5O3 MolecularWeight: 389.40726

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=CC(=O)NCC2=C(N=CC=C2)N3C=CC=N3)OCC#N

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C/C(=O)NCC2=C(N=CC=C2)N3C=CC=N3)OCC#N

InChI

InChI=1S/C21H19N5O3/c1-28-19-14-16(5-7-18(19)29-13-9-22)6-8-20(27)24-15-17-4-2-10-23-21(17)26-12-3-11-25-26/h2-8,10-12,14H,13,15H2,1H3,(H,24,27)/b8-6+