N-(1-azabicyclo[2.2.2]octan-3-yl)-7-(3-pyrrol-1-ylphenyl)-1-benzothiophene-2-carboxamide

Systemtic Name: N-(1-azabicyclo[2.2.2]octan-3-yl)-7-(3-pyrrol-1-ylphenyl)-1-benzothiophene-2-carboxamide Openeye Name: 7-(3-pyrrol-1-ylphenyl)-N-quinuclidin-3-yl-benzothiophene-2-carboxamide CAS Name: N-(1-azabicyclo[2.2.2]octan-3-yl)-7-[3-(1-pyrrolyl)phenyl]-1-benzothiophene-2-carboxamide IUPAC Name: N-(1-azabicyclo[2.2.2]octan-3-yl)-7-(3-pyrrol-1-ylphenyl)-1-benzothiophene-2-carboxamide Traditional Name: 7-(3-pyrrol-1-ylphenyl)-N-quinuclidin-3-yl-benzothiophene-2-carboxamide Formula: C26H25N3OS MolecularWeight: 427.5612

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Descriptors Computed from Structure

Canonical SMILES:

C1CN2CCC1C(C2)NC(=O)C3=CC4=C(S3)C(=CC=C4)C5=CC(=CC=C5)N6C=CC=C6

Isomeric SMILES

C1CN2CCC1C(C2)NC(=O)C3=CC4=C(S3)C(=CC=C4)C5=CC(=CC=C5)N6C=CC=C6

InChI

InChI=1S/C26H25N3OS/c30-26(27-23-17-28-13-9-18(23)10-14-28)24-16-20-6-4-8-22(25(20)31-24)19-5-3-7-21(15-19)29-11-1-2-12-29/h1-8,11-12,15-16,18,23H,9-10,13-14,17H2,(H,27,30)