4-(1-azabicyclo[2.2.2]octan-3-ylamino)-3-bromanyl-benzenecarbonitrile

Systemtic Name: 4-(1-azabicyclo[2.2.2]octan-3-ylamino)-3-bromanyl-benzenecarbonitrile Openeye Name: 3-bromo-4-(quinuclidin-3-ylamino)benzonitrile CAS Name: 4-(1-azabicyclo[2.2.2]octan-3-ylamino)-3-bromobenzonitrile IUPAC Name: 4-(1-azabicyclo[2.2.2]octan-3-ylamino)-3-bromobenzonitrile Traditional Name: 3-bromo-4-(quinuclidin-3-ylamino)benzonitrile Formula: C14H16BrN3 MolecularWeight: 306.20094

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN2CCC1C(C2)NC3=C(C=C(C=C3)C#N)Br

Isomeric SMILES

C1CN2CCC1C(C2)NC3=C(C=C(C=C3)C#N)Br

InChI

InChI=1S/C14H16BrN3/c15-12-7-10(8-16)1-2-13(12)17-14-9-18-5-3-11(14)4-6-18/h1-2,7,11,14,17H,3-6,9H2