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

Systemtic Name: 3-[[4-[(4-bromophenyl)methyl]piperazin-1-yl]methyl]-9-ethyl-carbazole; ethanedioic acid Openeye Name: 3-[[4-[(4-bromophenyl)methyl]piperazin-1-yl]methyl]-9-ethyl-carbazole; oxalic acid CAS Name: 3-[[4-[(4-bromophenyl)methyl]-1-piperazinyl]methyl]-9-ethylcarbazole; oxalic acid IUPAC Name: 3-[[4-[(4-bromophenyl)methyl]piperazin-1-yl]methyl]-9-ethylcarbazole; oxalic acid Traditional Name: 3-[[4-(4-bromobenzyl)piperazino]methyl]-9-ethyl-carbazole; oxalic acid Formula: C28H30BrN3O4 MolecularWeight: 552.4595

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)CN3CCN(CC3)CC4=CC=C(C=C4)Br)C5=CC=CC=C51.C(=O)(C(=O)O)O

Isomeric SMILES

CCN1C2=C(C=C(C=C2)CN3CCN(CC3)CC4=CC=C(C=C4)Br)C5=CC=CC=C51.C(=O)(C(=O)O)O

InChI

InChI=1S/C26H28BrN3.C2H2O4/c1-2-30-25-6-4-3-5-23(25)24-17-21(9-12-26(24)30)19-29-15-13-28(14-16-29)18-20-7-10-22(27)11-8-20;3-1(4)2(5)6/h3-12,17H,2,13-16,18-19H2,1H3;(H,3,4)(H,5,6)