5-chloranyl-3-methyl-N-[2-(2-methylpropanoylamino)ethyl]-1-phenyl-pyrazole-4-carboxamide

Systemtic Name: 5-chloranyl-3-methyl-N-[2-(2-methylpropanoylamino)ethyl]-1-phenyl-pyrazole-4-carboxamide Openeye Name: 5-chloro-3-methyl-N-[2-(2-methylpropanoylamino)ethyl]-1-phenyl-pyrazole-4-carboxamide CAS Name: 5-chloro-3-methyl-N-[2-[(2-methyl-1-oxopropyl)amino]ethyl]-1-phenyl-4-pyrazolecarboxamide IUPAC Name: 5-chloro-3-methyl-N-[2-(2-methylpropanoylamino)ethyl]-1-phenylpyrazole-4-carboxamide Traditional Name: 5-chloro-N-[2-(isobutyrylamino)ethyl]-3-methyl-1-phenyl-pyrazole-4-carboxamide Formula: C17H21ClN4O2 MolecularWeight: 348.82724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)NCCNC(=O)C(C)C)Cl)C2=CC=CC=C2

Isomeric SMILES

CC1=NN(C(=C1C(=O)NCCNC(=O)C(C)C)Cl)C2=CC=CC=C2

InChI

InChI=1S/C17H21ClN4O2/c1-11(2)16(23)19-9-10-20-17(24)14-12(3)21-22(15(14)18)13-7-5-4-6-8-13/h4-8,11H,9-10H2,1-3H3,(H,19,23)(H,20,24)