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

Systemtic Name: ethanedioic acid; (3-fluorophenyl)-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanone Openeye Name: (3-fluorophenyl)-[4-(1-naphthylmethyl)piperazin-1-yl]methanone; oxalic acid CAS Name: (3-fluorophenyl)-[4-(1-naphthalenylmethyl)-1-piperazinyl]methanone; oxalic acid IUPAC Name: (3-fluorophenyl)-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanone; oxalic acid Traditional Name: (3-fluorophenyl)-[4-(1-naphthylmethyl)piperazino]methanone; oxalic acid Formula: C24H23FN2O5 MolecularWeight: 438.448223

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC3=CC=CC=C32)C(=O)C4=CC(=CC=C4)F.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCN1CC2=CC=CC3=CC=CC=C32)C(=O)C4=CC(=CC=C4)F.C(=O)(C(=O)O)O

InChI

InChI=1S/C22H21FN2O.C2H2O4/c23-20-9-4-7-18(15-20)22(26)25-13-11-24(12-14-25)16-19-8-3-6-17-5-1-2-10-21(17)19;3-1(4)2(5)6/h1-10,15H,11-14,16H2;(H,3,4)(H,5,6)