5-chloranyl-3-methyl-N-[1-(2-methylpropanoyl)piperidin-4-yl]-1-phenyl-pyrazole-4-carboxamide

Systemtic Name: 5-chloranyl-3-methyl-N-[1-(2-methylpropanoyl)piperidin-4-yl]-1-phenyl-pyrazole-4-carboxamide Openeye Name: 5-chloro-3-methyl-N-[1-(2-methylpropanoyl)-4-piperidyl]-1-phenyl-pyrazole-4-carboxamide CAS Name: 5-chloro-3-methyl-N-[1-(2-methyl-1-oxopropyl)-4-piperidinyl]-1-phenyl-4-pyrazolecarboxamide IUPAC Name: 5-chloro-3-methyl-N-[1-(2-methylpropanoyl)piperidin-4-yl]-1-phenylpyrazole-4-carboxamide Traditional Name: 5-chloro-N-(1-isobutyryl-4-piperidyl)-3-methyl-1-phenyl-pyrazole-4-carboxamide Formula: C20H25ClN4O2 MolecularWeight: 388.8911

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)NC2CCN(CC2)C(=O)C(C)C)Cl)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1C(=O)NC2CCN(CC2)C(=O)C(C)C)Cl)C3=CC=CC=C3

InChI

InChI=1S/C20H25ClN4O2/c1-13(2)20(27)24-11-9-15(10-12-24)22-19(26)17-14(3)23-25(18(17)21)16-7-5-4-6-8-16/h4-8,13,15H,9-12H2,1-3H3,(H,22,26)