ethanedioic acid; [4-[(9-ethylcarbazol-3-yl)methyl]piperazin-1-yl]-(2-fluorophenyl)methanone

Systemtic Name: ethanedioic acid; [4-[(9-ethylcarbazol-3-yl)methyl]piperazin-1-yl]-(2-fluorophenyl)methanone Openeye Name: [4-[(9-ethylcarbazol-3-yl)methyl]piperazin-1-yl]-(2-fluorophenyl)methanone; oxalic acid CAS Name: [4-[(9-ethyl-3-carbazolyl)methyl]-1-piperazinyl]-(2-fluorophenyl)methanone; oxalic acid IUPAC Name: [4-[(9-ethylcarbazol-3-yl)methyl]piperazin-1-yl]-(2-fluorophenyl)methanone; oxalic acid Traditional Name: [4-[(9-ethylcarbazol-3-yl)methyl]piperazino]-(2-fluorophenyl)methanone; oxalic acid Formula: C28H28FN3O5 MolecularWeight: 505.537423

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)CN3CCN(CC3)C(=O)C4=CC=CC=C4F)C5=CC=CC=C51.C(=O)(C(=O)O)O

Isomeric SMILES

CCN1C2=C(C=C(C=C2)CN3CCN(CC3)C(=O)C4=CC=CC=C4F)C5=CC=CC=C51.C(=O)(C(=O)O)O

InChI

InChI=1S/C26H26FN3O.C2H2O4/c1-2-30-24-10-6-4-7-20(24)22-17-19(11-12-25(22)30)18-28-13-15-29(16-14-28)26(31)21-8-3-5-9-23(21)27;3-1(4)2(5)6/h3-12,17H,2,13-16,18H2,1H3;(H,3,4)(H,5,6)