[2-(methylamino)-2-oxidanylidene-ethyl] (E)-3-[1-(phenylmethyl)-3-pyridin-3-yl-pyrazol-4-yl]prop-2-enoate

Systemtic Name: [2-(methylamino)-2-oxidanylidene-ethyl] (E)-3-[1-(phenylmethyl)-3-pyridin-3-yl-pyrazol-4-yl]prop-2-enoate Openeye Name: [2-(methylamino)-2-oxo-ethyl] (E)-3-[1-benzyl-3-(3-pyridyl)pyrazol-4-yl]prop-2-enoate CAS Name: (E)-3-[1-(phenylmethyl)-3-(3-pyridinyl)-4-pyrazolyl]-2-propenoic acid [2-(methylamino)-2-oxoethyl] ester IUPAC Name: [2-(methylamino)-2-oxoethyl] (E)-3-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enoate Traditional Name: (E)-3-[1-benzyl-3-(3-pyridyl)pyrazol-4-yl]acrylic acid [2-keto-2-(methylamino)ethyl] ester Formula: C21H20N4O3 MolecularWeight: 376.4085

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)COC(=O)C=CC1=CN(N=C1C2=CN=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

CNC(=O)COC(=O)/C=C/C1=CN(N=C1C2=CN=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C21H20N4O3/c1-22-19(26)15-28-20(27)10-9-18-14-25(13-16-6-3-2-4-7-16)24-21(18)17-8-5-11-23-12-17/h2-12,14H,13,15H2,1H3,(H,22,26)/b10-9+