6-(dimethylamino)-4-[4-(phenylmethyl)piperazin-1-yl]quinoline-3-carboxylic acid

Systemtic Name: 6-(dimethylamino)-4-[4-(phenylmethyl)piperazin-1-yl]quinoline-3-carboxylic acid Openeye Name: 4-(4-benzylpiperazin-1-yl)-6-(dimethylamino)quinoline-3-carboxylic acid CAS Name: 6-(dimethylamino)-4-[4-(phenylmethyl)-1-piperazinyl]-3-quinolinecarboxylic acid IUPAC Name: 4-(4-benzylpiperazin-1-yl)-6-(dimethylamino)quinoline-3-carboxylic acid Traditional Name: 4-(4-benzylpiperazino)-6-(dimethylamino)quinoline-3-carboxylic acid Formula: C23H26N4O2 MolecularWeight: 390.47814

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC2=C(C(=CN=C2C=C1)C(=O)O)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CN(C)C1=CC2=C(C(=CN=C2C=C1)C(=O)O)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C23H26N4O2/c1-25(2)18-8-9-21-19(14-18)22(20(15-24-21)23(28)29)27-12-10-26(11-13-27)16-17-6-4-3-5-7-17/h3-9,14-15H,10-13,16H2,1-2H3,(H,28,29)