3-(azepan-1-yl)-6-chloranyl-2-phenyl-quinoline-4-carboxylic acid

Systemtic Name: 3-(azepan-1-yl)-6-chloranyl-2-phenyl-quinoline-4-carboxylic acid Openeye Name: 3-(azepan-1-yl)-6-chloro-2-phenyl-quinoline-4-carboxylic acid CAS Name: 3-(1-azepanyl)-6-chloro-2-phenyl-4-quinolinecarboxylic acid IUPAC Name: 3-(azepan-1-yl)-6-chloro-2-phenylquinoline-4-carboxylic acid Traditional Name: 3-(azepan-1-yl)-6-chloro-2-phenyl-cinchoninic acid Formula: C22H21ClN2O2 MolecularWeight: 380.86734

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(N=C3C=CC(=CC3=C2C(=O)O)Cl)C4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)C2=C(N=C3C=CC(=CC3=C2C(=O)O)Cl)C4=CC=CC=C4

InChI

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