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

Systemtic Name: N-[4-(3-methylbutanoylamino)phenyl]-1-(phenylmethyl)pyrazole-4-carboxamide Openeye Name: 1-benzyl-N-[4-(3-methylbutanoylamino)phenyl]pyrazole-4-carboxamide CAS Name: N-[4-[(3-methyl-1-oxobutyl)amino]phenyl]-1-(phenylmethyl)-4-pyrazolecarboxamide IUPAC Name: 1-benzyl-N-[4-(3-methylbutanoylamino)phenyl]pyrazole-4-carboxamide Traditional Name: 1-benzyl-N-[4-(isovalerylamino)phenyl]pyrazole-4-carboxamide Formula: C22H24N4O2 MolecularWeight: 376.45156

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC=C(C=C1)NC(=O)C2=CN(N=C2)CC3=CC=CC=C3

Isomeric SMILES

CC(C)CC(=O)NC1=CC=C(C=C1)NC(=O)C2=CN(N=C2)CC3=CC=CC=C3

InChI

InChI=1S/C22H24N4O2/c1-16(2)12-21(27)24-19-8-10-20(11-9-19)25-22(28)18-13-23-26(15-18)14-17-6-4-3-5-7-17/h3-11,13,15-16H,12,14H2,1-2H3,(H,24,27)(H,25,28)