(2S)-2-(4-chloranyl-2-methyl-phenoxy)-N-[1-(phenylmethyl)pyrazol-3-yl]propanamide

Systemtic Name: (2S)-2-(4-chloranyl-2-methyl-phenoxy)-N-[1-(phenylmethyl)pyrazol-3-yl]propanamide Openeye Name: (2S)-N-(1-benzylpyrazol-3-yl)-2-(4-chloro-2-methyl-phenoxy)propanamide CAS Name: (2S)-2-(4-chloro-2-methylphenoxy)-N-[1-(phenylmethyl)-3-pyrazolyl]propanamide IUPAC Name: (2S)-N-(1-benzylpyrazol-3-yl)-2-(4-chloro-2-methylphenoxy)propanamide Traditional Name: (2S)-N-(1-benzylpyrazol-3-yl)-2-(4-chloro-2-methyl-phenoxy)propionamide Formula: C20H20ClN3O2 MolecularWeight: 369.8447

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)OC(C)C(=O)NC2=NN(C=C2)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)O[C@@H](C)C(=O)NC2=NN(C=C2)CC3=CC=CC=C3

InChI

InChI=1S/C20H20ClN3O2/c1-14-12-17(21)8-9-18(14)26-15(2)20(25)22-19-10-11-24(23-19)13-16-6-4-3-5-7-16/h3-12,15H,13H2,1-2H3,(H,22,23,25)/t15-/m0/s1