(E)-N-[(6-pyrazol-1-ylpyridin-3-yl)methyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide

Systemtic Name: (E)-N-[(6-pyrazol-1-ylpyridin-3-yl)methyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide Openeye Name: (E)-N-[(6-pyrazol-1-yl-3-pyridyl)methyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide CAS Name: (E)-N-[[6-(1-pyrazolyl)-3-pyridinyl]methyl]-3-(3,4,5-trimethoxyphenyl)-2-propenamide IUPAC Name: (E)-N-[(6-pyrazol-1-ylpyridin-3-yl)methyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide Traditional Name: (E)-N-[(6-pyrazol-1-yl-3-pyridyl)methyl]-3-(3,4,5-trimethoxyphenyl)acrylamide Formula: C21H22N4O4 MolecularWeight: 394.42378

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C=CC(=O)NCC2=CN=C(C=C2)N3C=CC=N3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)NCC2=CN=C(C=C2)N3C=CC=N3

InChI

InChI=1S/C21H22N4O4/c1-27-17-11-15(12-18(28-2)21(17)29-3)6-8-20(26)23-14-16-5-7-19(22-13-16)25-10-4-9-24-25/h4-13H,14H2,1-3H3,(H,23,26)/b8-6+