3-(azepan-1-yl)-2-(4-chlorophenyl)quinoline-4-carboxylic acid

Systemtic Name: 3-(azepan-1-yl)-2-(4-chlorophenyl)quinoline-4-carboxylic acid Openeye Name: 3-(azepan-1-yl)-2-(4-chlorophenyl)quinoline-4-carboxylic acid CAS Name: 3-(1-azepanyl)-2-(4-chlorophenyl)-4-quinolinecarboxylic acid IUPAC Name: 3-(azepan-1-yl)-2-(4-chlorophenyl)quinoline-4-carboxylic acid Traditional Name: 3-(azepan-1-yl)-2-(4-chlorophenyl)cinchoninic acid Formula: C22H21ClN2O2 MolecularWeight: 380.86734

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C3=CC=CC=C3N=C2C4=CC=C(C=C4)Cl)C(=O)O

Isomeric SMILES

C1CCCN(CC1)C2=C(C3=CC=CC=C3N=C2C4=CC=C(C=C4)Cl)C(=O)O

InChI

InChI=1S/C22H21ClN2O2/c23-16-11-9-15(10-12-16)20-21(25-13-5-1-2-6-14-25)19(22(26)27)17-7-3-4-8-18(17)24-20/h3-4,7-12H,1-2,5-6,13-14H2,(H,26,27)