3-(azepan-1-yl)-2-phenyl-quinoline-4-carboxylate

Systemtic Name: 3-(azepan-1-yl)-2-phenyl-quinoline-4-carboxylate Openeye Name: 3-(azepan-1-yl)-2-phenyl-quinoline-4-carboxylate CAS Name: 3-(1-azepanyl)-2-phenyl-4-quinolinecarboxylate IUPAC Name: 3-(azepan-1-yl)-2-phenylquinoline-4-carboxylate Traditional Name: 3-(azepan-1-yl)-2-phenyl-cinchoninate Formula: C22H21N2O2- MolecularWeight: 345.41434

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C3=CC=CC=C3N=C2C4=CC=CC=C4)C(=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=C(C3=CC=CC=C3N=C2C4=CC=CC=C4)C(=O)[O-]

InChI

InChI=1S/C22H22N2O2/c25-22(26)19-17-12-6-7-13-18(17)23-20(16-10-4-3-5-11-16)21(19)24-14-8-1-2-9-15-24/h3-7,10-13H,1-2,8-9,14-15H2,(H,25,26)/p-1