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

Systemtic Name: ethanedioic acid; (3-fluorophenyl)-[4-(3-phenylpropyl)piperazin-1-yl]methanone Openeye Name: (3-fluorophenyl)-[4-(3-phenylpropyl)piperazin-1-yl]methanone; oxalic acid CAS Name: (3-fluorophenyl)-[4-(3-phenylpropyl)-1-piperazinyl]methanone; oxalic acid IUPAC Name: (3-fluorophenyl)-[4-(3-phenylpropyl)piperazin-1-yl]methanone; oxalic acid Traditional Name: (3-fluorophenyl)-[4-(3-phenylpropyl)piperazino]methanone; oxalic acid Formula: C22H25FN2O5 MolecularWeight: 416.442703

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCC2=CC=CC=C2)C(=O)C3=CC(=CC=C3)F.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCN1CCCC2=CC=CC=C2)C(=O)C3=CC(=CC=C3)F.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H23FN2O.C2H2O4/c21-19-10-4-9-18(16-19)20(24)23-14-12-22(13-15-23)11-5-8-17-6-2-1-3-7-17;3-1(4)2(5)6/h1-4,6-7,9-10,16H,5,8,11-15H2;(H,3,4)(H,5,6)