6-bromanyl-N-[2-(cyclohexen-1-yl)ethyl]-2-pyridin-3-yl-quinoline-4-carboxamide

Systemtic Name: 6-bromanyl-N-[2-(cyclohexen-1-yl)ethyl]-2-pyridin-3-yl-quinoline-4-carboxamide Openeye Name: 6-bromo-N-[2-(cyclohexen-1-yl)ethyl]-2-(3-pyridyl)quinoline-4-carboxamide CAS Name: 6-bromo-N-[2-(1-cyclohexenyl)ethyl]-2-(3-pyridinyl)-4-quinolinecarboxamide IUPAC Name: 6-bromo-N-[2-(cyclohexen-1-yl)ethyl]-2-pyridin-3-ylquinoline-4-carboxamide Traditional Name: 6-bromo-N-[2-(cyclohexen-1-yl)ethyl]-2-(3-pyridyl)cinchoninamide Formula: C23H22BrN3O MolecularWeight: 436.34428

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)CCNC(=O)C2=CC(=NC3=C2C=C(C=C3)Br)C4=CN=CC=C4

Isomeric SMILES

C1CCC(=CC1)CCNC(=O)C2=CC(=NC3=C2C=C(C=C3)Br)C4=CN=CC=C4

InChI

InChI=1S/C23H22BrN3O/c24-18-8-9-21-19(13-18)20(14-22(27-21)17-7-4-11-25-15-17)23(28)26-12-10-16-5-2-1-3-6-16/h4-5,7-9,11,13-15H,1-3,6,10,12H2,(H,26,28)