ethanedioic acid; 9-ethyl-3-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]carbazole

Systemtic Name: ethanedioic acid; 9-ethyl-3-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]carbazole Openeye Name: 9-ethyl-3-[[4-(2-pyridylmethyl)piperazin-1-yl]methyl]carbazole; oxalic acid CAS Name: 9-ethyl-3-[[4-(2-pyridinylmethyl)-1-piperazinyl]methyl]carbazole; oxalic acid IUPAC Name: 9-ethyl-3-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]carbazole; oxalic acid Traditional Name: 9-ethyl-3-[[4-(2-pyridylmethyl)piperazino]methyl]carbazole; oxalic acid Formula: C27H30N4O4 MolecularWeight: 474.5515

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)CN3CCN(CC3)CC4=CC=CC=N4)C5=CC=CC=C51.C(=O)(C(=O)O)O

Isomeric SMILES

CCN1C2=C(C=C(C=C2)CN3CCN(CC3)CC4=CC=CC=N4)C5=CC=CC=C51.C(=O)(C(=O)O)O

InChI

InChI=1S/C25H28N4.C2H2O4/c1-2-29-24-9-4-3-8-22(24)23-17-20(10-11-25(23)29)18-27-13-15-28(16-14-27)19-21-7-5-6-12-26-21;3-1(4)2(5)6/h3-12,17H,2,13-16,18-19H2,1H3;(H,3,4)(H,5,6)