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

Systemtic Name: ethanedioic acid; 9-ethyl-3-[[4-[(3-methylphenyl)methyl]piperazin-1-yl]methyl]carbazole Openeye Name: 9-ethyl-3-[[4-(m-tolylmethyl)piperazin-1-yl]methyl]carbazole; oxalic acid CAS Name: 9-ethyl-3-[[4-[(3-methylphenyl)methyl]-1-piperazinyl]methyl]carbazole; oxalic acid IUPAC Name: 9-ethyl-3-[[4-[(3-methylphenyl)methyl]piperazin-1-yl]methyl]carbazole; oxalic acid Traditional Name: 9-ethyl-3-[[4-(3-methylbenzyl)piperazino]methyl]carbazole; oxalic acid Formula: C29H33N3O4 MolecularWeight: 487.59002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H31N3.C2H2O4/c1-3-30-26-10-5-4-9-24(26)25-18-23(11-12-27(25)30)20-29-15-13-28(14-16-29)19-22-8-6-7-21(2)17-22;3-1(4)2(5)6/h4-12,17-18H,3,13-16,19-20H2,1-2H3;(H,3,4)(H,5,6)