4-phenyl-1-(2-pyrazol-1-ylcarbonyl-3-azabicyclo[2.2.2]octan-3-yl)butan-1-one

Systemtic Name: 4-phenyl-1-(2-pyrazol-1-ylcarbonyl-3-azabicyclo[2.2.2]octan-3-yl)butan-1-one Openeye Name: 4-phenyl-1-[2-(pyrazole-1-carbonyl)-3-azabicyclo[2.2.2]octan-3-yl]butan-1-one CAS Name: 1-[2-[oxo(1-pyrazolyl)methyl]-3-azabicyclo[2.2.2]octan-3-yl]-4-phenyl-1-butanone IUPAC Name: 4-phenyl-1-[2-(pyrazole-1-carbonyl)-3-azabicyclo[2.2.2]octan-3-yl]butan-1-one Traditional Name: 4-phenyl-1-[2-(pyrazole-1-carbonyl)-3-azabicyclo[2.2.2]octan-3-yl]butan-1-one Formula: C21H25N3O2 MolecularWeight: 351.4421

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2CCC1C(N2C(=O)CCCC3=CC=CC=C3)C(=O)N4C=CC=N4

Isomeric SMILES

C1CC2CCC1C(N2C(=O)CCCC3=CC=CC=C3)C(=O)N4C=CC=N4

InChI

InChI=1S/C21H25N3O2/c25-19(9-4-8-16-6-2-1-3-7-16)24-18-12-10-17(11-13-18)20(24)21(26)23-15-5-14-22-23/h1-3,5-7,14-15,17-18,20H,4,8-13H2