ethanedioic acid; (4-fluorophenyl)-[4-(1H-indol-3-ylmethyl)piperazin-1-yl]methanone

Systemtic Name: ethanedioic acid; (4-fluorophenyl)-[4-(1H-indol-3-ylmethyl)piperazin-1-yl]methanone Openeye Name: (4-fluorophenyl)-[4-(1H-indol-3-ylmethyl)piperazin-1-yl]methanone; oxalic acid CAS Name: (4-fluorophenyl)-[4-(1H-indol-3-ylmethyl)-1-piperazinyl]methanone; oxalic acid IUPAC Name: (4-fluorophenyl)-[4-(1H-indol-3-ylmethyl)piperazin-1-yl]methanone; oxalic acid Traditional Name: (4-fluorophenyl)-[4-(1H-indol-3-ylmethyl)piperazino]methanone; oxalic acid Formula: C22H22FN3O5 MolecularWeight: 427.425583

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CNC3=CC=CC=C32)C(=O)C4=CC=C(C=C4)F.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCN1CC2=CNC3=CC=CC=C32)C(=O)C4=CC=C(C=C4)F.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H20FN3O.C2H2O4/c21-17-7-5-15(6-8-17)20(25)24-11-9-23(10-12-24)14-16-13-22-19-4-2-1-3-18(16)19;3-1(4)2(5)6/h1-8,13,22H,9-12,14H2;(H,3,4)(H,5,6)