2-(azepan-1-yl)-N-(2-methylquinolin-4-yl)ethanamide; ethanedioic acid

Systemtic Name: 2-(azepan-1-yl)-N-(2-methylquinolin-4-yl)ethanamide; ethanedioic acid Openeye Name: 2-(azepan-1-yl)-N-(2-methyl-4-quinolyl)acetamide; oxalic acid CAS Name: 2-(1-azepanyl)-N-(2-methyl-4-quinolinyl)acetamide; oxalic acid IUPAC Name: 2-(azepan-1-yl)-N-(2-methylquinolin-4-yl)acetamide; oxalic acid Traditional Name: 2-(azepan-1-yl)-N-(2-methyl-4-quinolyl)acetamide; oxalic acid Formula: C22H27N3O9 MolecularWeight: 477.46448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=C1)NC(=O)CN3CCCCCC3.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=C1)NC(=O)CN3CCCCCC3.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H23N3O.2C2H2O4/c1-14-12-17(15-8-4-5-9-16(15)19-14)20-18(22)13-21-10-6-2-3-7-11-21;2*3-1(4)2(5)6/h4-5,8-9,12H,2-3,6-7,10-11,13H2,1H3,(H,19,20,22);2*(H,3,4)(H,5,6)