(2S)-N-[1-[(2-chloranyl-4-fluoranyl-phenyl)methyl]pyrazol-4-yl]-2-methyl-butanamide

Systemtic Name: (2S)-N-[1-[(2-chloranyl-4-fluoranyl-phenyl)methyl]pyrazol-4-yl]-2-methyl-butanamide Openeye Name: (2S)-N-[1-[(2-chloro-4-fluoro-phenyl)methyl]pyrazol-4-yl]-2-methyl-butanamide CAS Name: (2S)-N-[1-[(2-chloro-4-fluorophenyl)methyl]-4-pyrazolyl]-2-methylbutanamide IUPAC Name: (2S)-N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-2-methylbutanamide Traditional Name: (2S)-N-[1-(2-chloro-4-fluoro-benzyl)pyrazol-4-yl]-2-methyl-butyramide Formula: C15H17ClFN3O MolecularWeight: 309.766383

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(=O)NC1=CN(N=C1)CC2=C(C=C(C=C2)F)Cl

Isomeric SMILES

CC[C@H](C)C(=O)NC1=CN(N=C1)CC2=C(C=C(C=C2)F)Cl

InChI

InChI=1S/C15H17ClFN3O/c1-3-10(2)15(21)19-13-7-18-20(9-13)8-11-4-5-12(17)6-14(11)16/h4-7,9-10H,3,8H2,1-2H3,(H,19,21)/t10-/m0/s1