(E)-3-[6-[5-(tert-butylcarbamoyl)-2-pyridin-3-yl-pyrazol-3-yl]pyridin-3-yl]prop-2-enoic acid

Systemtic Name: (E)-3-[6-[5-(tert-butylcarbamoyl)-2-pyridin-3-yl-pyrazol-3-yl]pyridin-3-yl]prop-2-enoic acid Openeye Name: (E)-3-[6-[5-(tert-butylcarbamoyl)-2-(3-pyridyl)pyrazol-3-yl]-3-pyridyl]prop-2-enoic acid CAS Name: (E)-3-[6-[5-[(tert-butylamino)-oxomethyl]-2-(3-pyridinyl)-3-pyrazolyl]-3-pyridinyl]-2-propenoic acid IUPAC Name: (E)-3-[6-[5-(tert-butylcarbamoyl)-2-pyridin-3-ylpyrazol-3-yl]pyridin-3-yl]prop-2-enoic acid Traditional Name: (E)-3-[6-[5-(tert-butylcarbamoyl)-2-(3-pyridyl)pyrazol-3-yl]-3-pyridyl]acrylic acid Formula: C21H21N5O3 MolecularWeight: 391.42314

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C1=NN(C(=C1)C2=NC=C(C=C2)C=CC(=O)O)C3=CN=CC=C3

Isomeric SMILES

CC(C)(C)NC(=O)C1=NN(C(=C1)C2=NC=C(C=C2)/C=C/C(=O)O)C3=CN=CC=C3

InChI

InChI=1S/C21H21N5O3/c1-21(2,3)24-20(29)17-11-18(26(25-17)15-5-4-10-22-13-15)16-8-6-14(12-23-16)7-9-19(27)28/h4-13H,1-3H3,(H,24,29)(H,27,28)/b9-7+