4-[1-azabicyclo[2.2.2]octan-3-yl-[3,5-bis(chloranyl)phenyl]amino]-N,N-diethyl-benzamide

Systemtic Name: 4-[1-azabicyclo[2.2.2]octan-3-yl-[3,5-bis(chloranyl)phenyl]amino]-N,N-diethyl-benzamide Openeye Name: 4-(3,5-dichloro-N-quinuclidin-3-yl-anilino)-N,N-diethyl-benzamide CAS Name: 4-[N-(1-azabicyclo[2.2.2]octan-3-yl)-3,5-dichloroanilino]-N,N-diethylbenzamide IUPAC Name: 4-[N-(1-azabicyclo[2.2.2]octan-3-yl)-3,5-dichloroanilino]-N,N-diethylbenzamide Traditional Name: 4-(3,5-dichloro-N-quinuclidin-3-yl-anilino)-N,N-diethyl-benzamide Formula: C24H29Cl2N3O MolecularWeight: 446.41256

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=CC=C(C=C1)N(C2CN3CCC2CC3)C4=CC(=CC(=C4)Cl)Cl

Isomeric SMILES

CCN(CC)C(=O)C1=CC=C(C=C1)N(C2CN3CCC2CC3)C4=CC(=CC(=C4)Cl)Cl

InChI

InChI=1S/C24H29Cl2N3O/c1-3-28(4-2)24(30)18-5-7-21(8-6-18)29(22-14-19(25)13-20(26)15-22)23-16-27-11-9-17(23)10-12-27/h5-8,13-15,17,23H,3-4,9-12,16H2,1-2H3