N-[4-(3-methylbutanoylamino)phenyl]-4-pyrazol-1-yl-benzamide

Systemtic Name: N-[4-(3-methylbutanoylamino)phenyl]-4-pyrazol-1-yl-benzamide Openeye Name: N-[4-(3-methylbutanoylamino)phenyl]-4-pyrazol-1-yl-benzamide CAS Name: N-[4-[(3-methyl-1-oxobutyl)amino]phenyl]-4-(1-pyrazolyl)benzamide IUPAC Name: N-[4-(3-methylbutanoylamino)phenyl]-4-pyrazol-1-ylbenzamide Traditional Name: N-[4-(isovalerylamino)phenyl]-4-pyrazol-1-yl-benzamide 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=CC=C(C=C2)N3C=CC=N3

Isomeric SMILES

CC(C)CC(=O)NC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)N3C=CC=N3

InChI

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