1-[2-(3-azabicyclo[2.2.2]octan-3-yl)quinolin-6-yl]-3-(4-propylphenyl)urea

Systemtic Name: 1-[2-(3-azabicyclo[2.2.2]octan-3-yl)quinolin-6-yl]-3-(4-propylphenyl)urea Openeye Name: 1-[2-(3-azabicyclo[2.2.2]octan-3-yl)-6-quinolyl]-3-(4-propylphenyl)urea CAS Name: 1-[2-(3-azabicyclo[2.2.2]octan-3-yl)-6-quinolinyl]-3-(4-propylphenyl)urea IUPAC Name: 1-[2-(3-azabicyclo[2.2.2]octan-3-yl)quinolin-6-yl]-3-(4-propylphenyl)urea Traditional Name: 1-[2-(3-azabicyclo[2.2.2]octan-3-yl)-6-quinolyl]-3-(4-propylphenyl)urea Formula: C26H30N4O MolecularWeight: 414.5426

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)NC(=O)NC2=CC3=C(C=C2)N=C(C=C3)N4CC5CCC4CC5

Isomeric SMILES

CCCC1=CC=C(C=C1)NC(=O)NC2=CC3=C(C=C2)N=C(C=C3)N4CC5CCC4CC5

InChI

InChI=1S/C26H30N4O/c1-2-3-18-4-9-21(10-5-18)27-26(31)28-22-11-14-24-20(16-22)8-15-25(29-24)30-17-19-6-12-23(30)13-7-19/h4-5,8-11,14-16,19,23H,2-3,6-7,12-13,17H2,1H3,(H2,27,28,31)