N-[(2S)-butan-2-yl]-5-(2-chlorophenyl)-2-(4-methylphenyl)pyrazole-3-carboxamide

Systemtic Name: N-[(2S)-butan-2-yl]-5-(2-chlorophenyl)-2-(4-methylphenyl)pyrazole-3-carboxamide Openeye Name: 5-(2-chlorophenyl)-N-[(1S)-1-methylpropyl]-2-(p-tolyl)pyrazole-3-carboxamide CAS Name: N-[(2S)-butan-2-yl]-5-(2-chlorophenyl)-2-(4-methylphenyl)-3-pyrazolecarboxamide IUPAC Name: N-[(2S)-butan-2-yl]-5-(2-chlorophenyl)-2-(4-methylphenyl)pyrazole-3-carboxamide Traditional Name: 5-(2-chlorophenyl)-N-[(1S)-1-methylpropyl]-2-(p-tolyl)pyrazole-3-carboxamide Formula: C21H22ClN3O MolecularWeight: 367.87188

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C1=CC(=NN1C2=CC=C(C=C2)C)C3=CC=CC=C3Cl

Isomeric SMILES

CC[C@H](C)NC(=O)C1=CC(=NN1C2=CC=C(C=C2)C)C3=CC=CC=C3Cl

InChI

InChI=1S/C21H22ClN3O/c1-4-15(3)23-21(26)20-13-19(17-7-5-6-8-18(17)22)24-25(20)16-11-9-14(2)10-12-16/h5-13,15H,4H2,1-3H3,(H,23,26)/t15-/m0/s1