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

Systemtic Name: N-[(2S)-butan-2-yl]-2-(2-chlorophenyl)-5-(4-methoxyphenyl)pyrazole-3-carboxamide Openeye Name: 2-(2-chlorophenyl)-5-(4-methoxyphenyl)-N-[(1S)-1-methylpropyl]pyrazole-3-carboxamide CAS Name: N-[(2S)-butan-2-yl]-2-(2-chlorophenyl)-5-(4-methoxyphenyl)-3-pyrazolecarboxamide IUPAC Name: N-[(2S)-butan-2-yl]-2-(2-chlorophenyl)-5-(4-methoxyphenyl)pyrazole-3-carboxamide Traditional Name: 2-(2-chlorophenyl)-5-(4-methoxyphenyl)-N-[(1S)-1-methylpropyl]pyrazole-3-carboxamide Formula: C21H22ClN3O2 MolecularWeight: 383.87128

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C1=CC(=NN1C2=CC=CC=C2Cl)C3=CC=C(C=C3)OC

Isomeric SMILES

CC[C@H](C)NC(=O)C1=CC(=NN1C2=CC=CC=C2Cl)C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H22ClN3O2/c1-4-14(2)23-21(26)20-13-18(15-9-11-16(27-3)12-10-15)24-25(20)19-8-6-5-7-17(19)22/h5-14H,4H2,1-3H3,(H,23,26)/t14-/m0/s1