(1S,2R)-N-[1-[(4-bromophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]-2-phenyl-cyclopropane-1-carboxamide

Systemtic Name: (1S,2R)-N-[1-[(4-bromophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]-2-phenyl-cyclopropane-1-carboxamide Openeye Name: (1S,2R)-N-[1-[(4-bromophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]-2-phenyl-cyclopropanecarboxamide CAS Name: (1S,2R)-N-[1-[(4-bromophenyl)methyl]-3,5-dimethyl-4-pyrazolyl]-2-phenyl-1-cyclopropanecarboxamide IUPAC Name: (1S,2R)-N-[1-[(4-bromophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-phenylcyclopropane-1-carboxamide Traditional Name: (1S,2R)-N-[1-(4-bromobenzyl)-3,5-dimethyl-pyrazol-4-yl]-2-phenyl-cyclopropanecarboxamide Formula: C22H22BrN3O MolecularWeight: 424.33358

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=C(C=C2)Br)C)NC(=O)C3CC3C4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=C(C=C2)Br)C)NC(=O)[C@H]3C[C@H]3C4=CC=CC=C4

InChI

InChI=1S/C22H22BrN3O/c1-14-21(15(2)26(25-14)13-16-8-10-18(23)11-9-16)24-22(27)20-12-19(20)17-6-4-3-5-7-17/h3-11,19-20H,12-13H2,1-2H3,(H,24,27)/t19-,20-/m0/s1