N-[2-(3-azabicyclo[2.2.2]octan-3-yl)quinolin-6-yl]-4-pyrazol-1-yl-benzamide

Systemtic Name: N-[2-(3-azabicyclo[2.2.2]octan-3-yl)quinolin-6-yl]-4-pyrazol-1-yl-benzamide Openeye Name: N-[2-(3-azabicyclo[2.2.2]octan-3-yl)-6-quinolyl]-4-pyrazol-1-yl-benzamide CAS Name: N-[2-(3-azabicyclo[2.2.2]octan-3-yl)-6-quinolinyl]-4-(1-pyrazolyl)benzamide IUPAC Name: N-[2-(3-azabicyclo[2.2.2]octan-3-yl)quinolin-6-yl]-4-pyrazol-1-ylbenzamide Traditional Name: N-[2-(3-azabicyclo[2.2.2]octan-3-yl)-6-quinolyl]-4-pyrazol-1-yl-benzamide Formula: C26H25N5O MolecularWeight: 423.5096

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2CCC1CN2C3=NC4=C(C=C3)C=C(C=C4)NC(=O)C5=CC=C(C=C5)N6C=CC=N6

Isomeric SMILES

C1CC2CCC1CN2C3=NC4=C(C=C3)C=C(C=C4)NC(=O)C5=CC=C(C=C5)N6C=CC=N6

InChI

InChI=1S/C26H25N5O/c32-26(19-4-10-23(11-5-19)31-15-1-14-27-31)28-21-7-12-24-20(16-21)6-13-25(29-24)30-17-18-2-8-22(30)9-3-18/h1,4-7,10-16,18,22H,2-3,8-9,17H2,(H,28,32)