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

Systemtic Name: (1S,2R)-N-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]-2-phenyl-cyclopropane-1-carboxamide Openeye Name: (1S,2R)-N-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]-2-phenyl-cyclopropanecarboxamide CAS Name: (1S,2R)-N-[1-[(4-bromophenyl)methyl]-4-pyrazolyl]-2-phenyl-1-cyclopropanecarboxamide IUPAC Name: (1S,2R)-N-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]-2-phenylcyclopropane-1-carboxamide Traditional Name: (1S,2R)-N-[1-(4-bromobenzyl)pyrazol-4-yl]-2-phenyl-cyclopropanecarboxamide Formula: C20H18BrN3O MolecularWeight: 396.28042

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C1C(=O)NC2=CN(N=C2)CC3=CC=C(C=C3)Br)C4=CC=CC=C4

Isomeric SMILES

C1[C@H]([C@H]1C(=O)NC2=CN(N=C2)CC3=CC=C(C=C3)Br)C4=CC=CC=C4

InChI

InChI=1S/C20H18BrN3O/c21-16-8-6-14(7-9-16)12-24-13-17(11-22-24)23-20(25)19-10-18(19)15-4-2-1-3-5-15/h1-9,11,13,18-19H,10,12H2,(H,23,25)/t18-,19-/m0/s1