methyl 2-[[(E)-3-[1-(phenylmethyl)-3-pyridin-3-yl-pyrazol-4-yl]prop-2-enoyl]amino]benzoate

Systemtic Name: methyl 2-[[(E)-3-[1-(phenylmethyl)-3-pyridin-3-yl-pyrazol-4-yl]prop-2-enoyl]amino]benzoate Openeye Name: methyl 2-[[(E)-3-[1-benzyl-3-(3-pyridyl)pyrazol-4-yl]prop-2-enoyl]amino]benzoate CAS Name: 2-[[(E)-1-oxo-3-[1-(phenylmethyl)-3-(3-pyridinyl)-4-pyrazolyl]prop-2-enyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[(E)-3-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enoyl]amino]benzoate Traditional Name: 2-[[(E)-3-[1-benzyl-3-(3-pyridyl)pyrazol-4-yl]acryloyl]amino]benzoic acid methyl ester Formula: C26H22N4O3 MolecularWeight: 438.47788

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)C=CC2=CN(N=C2C3=CN=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)/C=C/C2=CN(N=C2C3=CN=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C26H22N4O3/c1-33-26(32)22-11-5-6-12-23(22)28-24(31)14-13-21-18-30(17-19-8-3-2-4-9-19)29-25(21)20-10-7-15-27-16-20/h2-16,18H,17H2,1H3,(H,28,31)/b14-13+