(2S)-2-(3,4-dimethylphenoxy)-N-[5-methyl-2-(phenylmethyl)pyrazol-3-yl]propanamide

Systemtic Name: (2S)-2-(3,4-dimethylphenoxy)-N-[5-methyl-2-(phenylmethyl)pyrazol-3-yl]propanamide Openeye Name: (2S)-N-(2-benzyl-5-methyl-pyrazol-3-yl)-2-(3,4-dimethylphenoxy)propanamide CAS Name: (2S)-2-(3,4-dimethylphenoxy)-N-[5-methyl-2-(phenylmethyl)-3-pyrazolyl]propanamide IUPAC Name: (2S)-N-(2-benzyl-5-methylpyrazol-3-yl)-2-(3,4-dimethylphenoxy)propanamide Traditional Name: (2S)-N-(2-benzyl-5-methyl-pyrazol-3-yl)-2-(3,4-dimethylphenoxy)propionamide Formula: C22H25N3O2 MolecularWeight: 363.4528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OC(C)C(=O)NC2=CC(=NN2CC3=CC=CC=C3)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)O[C@@H](C)C(=O)NC2=CC(=NN2CC3=CC=CC=C3)C)C

InChI

InChI=1S/C22H25N3O2/c1-15-10-11-20(12-16(15)2)27-18(4)22(26)23-21-13-17(3)24-25(21)14-19-8-6-5-7-9-19/h5-13,18H,14H2,1-4H3,(H,23,26)/t18-/m0/s1