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

Systemtic Name: [2-(methylcarbamoylamino)-2-oxidanylidene-ethyl] (E)-3-[1-(phenylmethyl)-3-pyridin-3-yl-pyrazol-4-yl]prop-2-enoate Openeye Name: [2-(methylcarbamoylamino)-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-(methylcarbamoylamino)-2-oxoethyl] ester IUPAC Name: [2-(methylcarbamoylamino)-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-(methylcarbamoylamino)ethyl] ester Formula: C22H21N5O4 MolecularWeight: 419.43324

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21N5O4/c1-23-22(30)25-19(28)15-31-20(29)10-9-18-14-27(13-16-6-3-2-4-7-16)26-21(18)17-8-5-11-24-12-17/h2-12,14H,13,15H2,1H3,(H2,23,25,28,30)/b10-9+