[2-[5-(tert-butylcarbamoyl)-2-pyridin-3-yl-pyrazol-3-yl]phenyl]methylcarbamic acid

Systemtic Name: [2-[5-(tert-butylcarbamoyl)-2-pyridin-3-yl-pyrazol-3-yl]phenyl]methylcarbamic acid Openeye Name: [2-[5-(tert-butylcarbamoyl)-2-(3-pyridyl)pyrazol-3-yl]phenyl]methylcarbamic acid CAS Name: [2-[5-[(tert-butylamino)-oxomethyl]-2-(3-pyridinyl)-3-pyrazolyl]phenyl]methylcarbamic acid IUPAC Name: [2-[5-(tert-butylcarbamoyl)-2-pyridin-3-ylpyrazol-3-yl]phenyl]methylcarbamic acid Traditional Name: [2-[5-(tert-butylcarbamoyl)-2-(3-pyridyl)pyrazol-3-yl]benzyl]carbamic acid Formula: C21H23N5O3 MolecularWeight: 393.43902

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C1=NN(C(=C1)C2=CC=CC=C2CNC(=O)O)C3=CN=CC=C3

Isomeric SMILES

CC(C)(C)NC(=O)C1=NN(C(=C1)C2=CC=CC=C2CNC(=O)O)C3=CN=CC=C3

InChI

InChI=1S/C21H23N5O3/c1-21(2,3)24-19(27)17-11-18(26(25-17)15-8-6-10-22-13-15)16-9-5-4-7-14(16)12-23-20(28)29/h4-11,13,23H,12H2,1-3H3,(H,24,27)(H,28,29)