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

Systemtic Name: 3-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-9-ethyl-carbazole; ethanedioic acid Openeye Name: 3-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-9-ethyl-carbazole; oxalic acid CAS Name: 3-[[4-[(2-chlorophenyl)methyl]-1-piperazinyl]methyl]-9-ethylcarbazole; oxalic acid IUPAC Name: 3-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-9-ethylcarbazole; oxalic acid Traditional Name: 3-[[4-(2-chlorobenzyl)piperazino]methyl]-9-ethyl-carbazole; oxalic acid Formula: C28H30ClN3O4 MolecularWeight: 508.0085

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)CN3CCN(CC3)CC4=CC=CC=C4Cl)C5=CC=CC=C51.C(=O)(C(=O)O)O

Isomeric SMILES

CCN1C2=C(C=C(C=C2)CN3CCN(CC3)CC4=CC=CC=C4Cl)C5=CC=CC=C51.C(=O)(C(=O)O)O

InChI

InChI=1S/C26H28ClN3.C2H2O4/c1-2-30-25-10-6-4-8-22(25)23-17-20(11-12-26(23)30)18-28-13-15-29(16-14-28)19-21-7-3-5-9-24(21)27;3-1(4)2(5)6/h3-12,17H,2,13-16,18-19H2,1H3;(H,3,4)(H,5,6)