(2S)-N-[[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]methyl]-N,2-dimethyl-butanamide

Systemtic Name: (2S)-N-[[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]methyl]-N,2-dimethyl-butanamide Openeye Name: (2S)-N-[[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]methyl]-N,2-dimethyl-butanamide CAS Name: (2S)-N-[[3-(4-chlorophenyl)-1-phenyl-4-pyrazolyl]methyl]-N,2-dimethylbutanamide IUPAC Name: (2S)-N-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-N,2-dimethylbutanamide Traditional Name: (2S)-N-[[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]methyl]-N,2-dimethyl-butyramide Formula: C22H24ClN3O MolecularWeight: 381.89846

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(=O)N(C)CC1=CN(N=C1C2=CC=C(C=C2)Cl)C3=CC=CC=C3

Isomeric SMILES

CC[C@H](C)C(=O)N(C)CC1=CN(N=C1C2=CC=C(C=C2)Cl)C3=CC=CC=C3

InChI

InChI=1S/C22H24ClN3O/c1-4-16(2)22(27)25(3)14-18-15-26(20-8-6-5-7-9-20)24-21(18)17-10-12-19(23)13-11-17/h5-13,15-16H,4,14H2,1-3H3/t16-/m0/s1