N-[(2S)-butan-2-yl]-1-[(3-chloranylphenoxy)methyl]pyrazole-3-carboxamide

Systemtic Name: N-[(2S)-butan-2-yl]-1-[(3-chloranylphenoxy)methyl]pyrazole-3-carboxamide Openeye Name: 1-[(3-chlorophenoxy)methyl]-N-[(1S)-1-methylpropyl]pyrazole-3-carboxamide CAS Name: N-[(2S)-butan-2-yl]-1-[(3-chlorophenoxy)methyl]-3-pyrazolecarboxamide IUPAC Name: N-[(2S)-butan-2-yl]-1-[(3-chlorophenoxy)methyl]pyrazole-3-carboxamide Traditional Name: 1-[(3-chlorophenoxy)methyl]-N-[(1S)-1-methylpropyl]pyrazole-3-carboxamide Formula: C15H18ClN3O2 MolecularWeight: 307.77532

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18ClN3O2/c1-3-11(2)17-15(20)14-7-8-19(18-14)10-21-13-6-4-5-12(16)9-13/h4-9,11H,3,10H2,1-2H3,(H,17,20)/t11-/m0/s1