5-methyl-N-[4-(3-methylbutanoylamino)phenyl]-1-pyridin-2-yl-pyrazole-4-carboxamide

Systemtic Name: 5-methyl-N-[4-(3-methylbutanoylamino)phenyl]-1-pyridin-2-yl-pyrazole-4-carboxamide Openeye Name: 5-methyl-N-[4-(3-methylbutanoylamino)phenyl]-1-(2-pyridyl)pyrazole-4-carboxamide CAS Name: 5-methyl-N-[4-[(3-methyl-1-oxobutyl)amino]phenyl]-1-(2-pyridinyl)-4-pyrazolecarboxamide IUPAC Name: 5-methyl-N-[4-(3-methylbutanoylamino)phenyl]-1-pyridin-2-ylpyrazole-4-carboxamide Traditional Name: N-[4-(isovalerylamino)phenyl]-5-methyl-1-(2-pyridyl)pyrazole-4-carboxamide Formula: C21H23N5O2 MolecularWeight: 377.43962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=CC=CC=N2)C(=O)NC3=CC=C(C=C3)NC(=O)CC(C)C

Isomeric SMILES

CC1=C(C=NN1C2=CC=CC=N2)C(=O)NC3=CC=C(C=C3)NC(=O)CC(C)C

InChI

InChI=1S/C21H23N5O2/c1-14(2)12-20(27)24-16-7-9-17(10-8-16)25-21(28)18-13-23-26(15(18)3)19-6-4-5-11-22-19/h4-11,13-14H,12H2,1-3H3,(H,24,27)(H,25,28)