N-[(2S,3R)-2-methyl-1-azabicyclo[2.2.2]octan-3-yl]-4-phenyl-pyrazole-1-carboxamide

Systemtic Name: N-[(2S,3R)-2-methyl-1-azabicyclo[2.2.2]octan-3-yl]-4-phenyl-pyrazole-1-carboxamide Openeye Name: N-[(2S,3R)-2-methylquinuclidin-3-yl]-4-phenyl-pyrazole-1-carboxamide CAS Name: N-[(2S,3R)-2-methyl-1-azabicyclo[2.2.2]octan-3-yl]-4-phenyl-1-pyrazolecarboxamide IUPAC Name: N-[(2S,3R)-2-methyl-1-azabicyclo[2.2.2]octan-3-yl]-4-phenylpyrazole-1-carboxamide Traditional Name: N-[(2S,3R)-2-methylquinuclidin-3-yl]-4-phenyl-pyrazole-1-carboxamide Formula: C18H22N4O MolecularWeight: 310.39348

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C2CCN1CC2)NC(=O)N3C=C(C=N3)C4=CC=CC=C4

Isomeric SMILES

C[C@H]1[C@@H](C2CCN1CC2)NC(=O)N3C=C(C=N3)C4=CC=CC=C4

InChI

InChI=1S/C18H22N4O/c1-13-17(15-7-9-21(13)10-8-15)20-18(23)22-12-16(11-19-22)14-5-3-2-4-6-14/h2-6,11-13,15,17H,7-10H2,1H3,(H,20,23)/t13-,17-/m0/s1