N-[(2S)-butan-2-yl]-1-[(4-chloranyl-3-methyl-phenoxy)methyl]pyrazole-3-carboxamide

Systemtic Name: N-[(2S)-butan-2-yl]-1-[(4-chloranyl-3-methyl-phenoxy)methyl]pyrazole-3-carboxamide Openeye Name: 1-[(4-chloro-3-methyl-phenoxy)methyl]-N-[(1S)-1-methylpropyl]pyrazole-3-carboxamide CAS Name: N-[(2S)-butan-2-yl]-1-[(4-chloro-3-methylphenoxy)methyl]-3-pyrazolecarboxamide IUPAC Name: N-[(2S)-butan-2-yl]-1-[(4-chloro-3-methylphenoxy)methyl]pyrazole-3-carboxamide Traditional Name: 1-[(4-chloro-3-methyl-phenoxy)methyl]-N-[(1S)-1-methylpropyl]pyrazole-3-carboxamide Formula: C16H20ClN3O2 MolecularWeight: 321.8019

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C1=NN(C=C1)COC2=CC(=C(C=C2)Cl)C

Isomeric SMILES

CC[C@H](C)NC(=O)C1=NN(C=C1)COC2=CC(=C(C=C2)Cl)C

InChI

InChI=1S/C16H20ClN3O2/c1-4-12(3)18-16(21)15-7-8-20(19-15)10-22-13-5-6-14(17)11(2)9-13/h5-9,12H,4,10H2,1-3H3,(H,18,21)/t12-/m0/s1