2-(azepan-1-yl)-N-(2-ethyl-3-methyl-quinolin-4-yl)ethanamide; ethanedioic acid

Systemtic Name: 2-(azepan-1-yl)-N-(2-ethyl-3-methyl-quinolin-4-yl)ethanamide; ethanedioic acid Openeye Name: 2-(azepan-1-yl)-N-(2-ethyl-3-methyl-4-quinolyl)acetamide; oxalic acid CAS Name: 2-(1-azepanyl)-N-(2-ethyl-3-methyl-4-quinolinyl)acetamide; oxalic acid IUPAC Name: 2-(azepan-1-yl)-N-(2-ethyl-3-methylquinolin-4-yl)acetamide; oxalic acid Traditional Name: 2-(azepan-1-yl)-N-(2-ethyl-3-methyl-4-quinolyl)acetamide; oxalic acid Formula: C22H29N3O5 MolecularWeight: 415.48276

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=CC=CC=C2C(=C1C)NC(=O)CN3CCCCCC3.C(=O)(C(=O)O)O

Isomeric SMILES

CCC1=NC2=CC=CC=C2C(=C1C)NC(=O)CN3CCCCCC3.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H27N3O.C2H2O4/c1-3-17-15(2)20(16-10-6-7-11-18(16)21-17)22-19(24)14-23-12-8-4-5-9-13-23;3-1(4)2(5)6/h6-7,10-11H,3-5,8-9,12-14H2,1-2H3,(H,21,22,24);(H,3,4)(H,5,6)