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

Systemtic Name: 3-[[4-[(3-bromanyl-4-methoxy-phenyl)methyl]piperazin-1-yl]methyl]-9-ethyl-carbazole; ethanedioic acid Openeye Name: 3-[[4-[(3-bromo-4-methoxy-phenyl)methyl]piperazin-1-yl]methyl]-9-ethyl-carbazole; oxalic acid CAS Name: 3-[[4-[(3-bromo-4-methoxyphenyl)methyl]-1-piperazinyl]methyl]-9-ethylcarbazole; oxalic acid IUPAC Name: 3-[[4-[(3-bromo-4-methoxyphenyl)methyl]piperazin-1-yl]methyl]-9-ethylcarbazole; oxalic acid Traditional Name: 3-[[4-(3-bromo-4-methoxy-benzyl)piperazino]methyl]-9-ethyl-carbazole; oxalic acid Formula: C29H32BrN3O5 MolecularWeight: 582.48548

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)OC)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)OC)Br)C5=CC=CC=C51.C(=O)(C(=O)O)O

InChI

InChI=1S/C27H30BrN3O.C2H2O4/c1-3-31-25-7-5-4-6-22(25)23-16-20(8-10-26(23)31)18-29-12-14-30(15-13-29)19-21-9-11-27(32-2)24(28)17-21;3-1(4)2(5)6/h4-11,16-17H,3,12-15,18-19H2,1-2H3;(H,3,4)(H,5,6)