2-(azepan-1-yl)-N-[2-(dimethylamino)quinolin-4-yl]ethanamide; ethanedioic acid

Systemtic Name: 2-(azepan-1-yl)-N-[2-(dimethylamino)quinolin-4-yl]ethanamide; ethanedioic acid Openeye Name: 2-(azepan-1-yl)-N-[2-(dimethylamino)-4-quinolyl]acetamide; oxalic acid CAS Name: 2-(1-azepanyl)-N-[2-(dimethylamino)-4-quinolinyl]acetamide; oxalic acid IUPAC Name: 2-(azepan-1-yl)-N-[2-(dimethylamino)quinolin-4-yl]acetamide; oxalic acid Traditional Name: 2-(azepan-1-yl)-N-[2-(dimethylamino)-4-quinolyl]acetamide; oxalic acid Formula: C23H30N4O9 MolecularWeight: 506.5057

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26N4O.2C2H2O4/c1-22(2)18-13-17(15-9-5-6-10-16(15)20-18)21-19(24)14-23-11-7-3-4-8-12-23;2*3-1(4)2(5)6/h5-6,9-10,13H,3-4,7-8,11-12,14H2,1-2H3,(H,20,21,24);2*(H,3,4)(H,5,6)