N-[4-(3-methylbutanoylamino)phenyl]-1-phenyl-pyrazole-3-carboxamide

Systemtic Name: N-[4-(3-methylbutanoylamino)phenyl]-1-phenyl-pyrazole-3-carboxamide Openeye Name: N-[4-(3-methylbutanoylamino)phenyl]-1-phenyl-pyrazole-3-carboxamide CAS Name: N-[4-[(3-methyl-1-oxobutyl)amino]phenyl]-1-phenyl-3-pyrazolecarboxamide IUPAC Name: N-[4-(3-methylbutanoylamino)phenyl]-1-phenylpyrazole-3-carboxamide Traditional Name: N-[4-(isovalerylamino)phenyl]-1-phenyl-pyrazole-3-carboxamide Formula: C21H22N4O2 MolecularWeight: 362.42498

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC=C(C=C1)NC(=O)C2=NN(C=C2)C3=CC=CC=C3

Isomeric SMILES

CC(C)CC(=O)NC1=CC=C(C=C1)NC(=O)C2=NN(C=C2)C3=CC=CC=C3

InChI

InChI=1S/C21H22N4O2/c1-15(2)14-20(26)22-16-8-10-17(11-9-16)23-21(27)19-12-13-25(24-19)18-6-4-3-5-7-18/h3-13,15H,14H2,1-2H3,(H,22,26)(H,23,27)