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

Systemtic Name: N-[2-(dimethylamino)quinolin-4-yl]-2-[4-(diphenylmethyl)piperazin-1-yl]ethanamide; ethanedioic acid Openeye Name: 2-(4-benzhydrylpiperazin-1-yl)-N-[2-(dimethylamino)-4-quinolyl]acetamide; oxalic acid CAS Name: N-[2-(dimethylamino)-4-quinolinyl]-2-[4-(diphenylmethyl)-1-piperazinyl]acetamide; oxalic acid IUPAC Name: 2-(4-benzhydrylpiperazin-1-yl)-N-[2-(dimethylamino)quinolin-4-yl]acetamide; oxalic acid Traditional Name: 2-(4-benzhydrylpiperazino)-N-[2-(dimethylamino)-4-quinolyl]acetamide; oxalic acid Formula: C34H37N5O9 MolecularWeight: 659.68568

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=NC2=CC=CC=C2C(=C1)NC(=O)CN3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

Isomeric SMILES

CN(C)C1=NC2=CC=CC=C2C(=C1)NC(=O)CN3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C30H33N5O.2C2H2O4/c1-33(2)28-21-27(25-15-9-10-16-26(25)31-28)32-29(36)22-34-17-19-35(20-18-34)30(23-11-5-3-6-12-23)24-13-7-4-8-14-24;2*3-1(4)2(5)6/h3-16,21,30H,17-20,22H2,1-2H3,(H,31,32,36);2*(H,3,4)(H,5,6)