1,7-dipyridin-3-ylheptan-4-yl 1-azabicyclo[2.2.1]heptane-2-carboxylate

Systemtic Name: 1,7-dipyridin-3-ylheptan-4-yl 1-azabicyclo[2.2.1]heptane-2-carboxylate Openeye Name: [4-(3-pyridyl)-1-[3-(3-pyridyl)propyl]butyl] 1-azabicyclo[2.2.1]heptane-2-carboxylate CAS Name: 1-azabicyclo[2.2.1]heptane-2-carboxylic acid 1,7-bis(3-pyridinyl)heptan-4-yl ester IUPAC Name: 1,7-dipyridin-3-ylheptan-4-yl 1-azabicyclo[2.2.1]heptane-2-carboxylate Traditional Name: 1-azabicyclo[2.2.1]heptane-2-carboxylic acid [4-(3-pyridyl)-1-[3-(3-pyridyl)propyl]butyl] ester Formula: C24H31N3O2 MolecularWeight: 393.52184

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN2CC1CC2C(=O)OC(CCCC3=CN=CC=C3)CCCC4=CN=CC=C4

Isomeric SMILES

C1CN2CC1CC2C(=O)OC(CCCC3=CN=CC=C3)CCCC4=CN=CC=C4

InChI

InChI=1S/C24H31N3O2/c28-24(23-15-21-11-14-27(23)18-21)29-22(9-1-5-19-7-3-12-25-16-19)10-2-6-20-8-4-13-26-17-20/h3-4,7-8,12-13,16-17,21-23H,1-2,5-6,9-11,14-15,18H2