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

Systemtic Name: ethanedioic acid; (2-fluorophenyl)-[4-[(1-methylpyrrol-2-yl)methyl]piperazin-1-yl]methanone Openeye Name: (2-fluorophenyl)-[4-[(1-methylpyrrol-2-yl)methyl]piperazin-1-yl]methanone; oxalic acid CAS Name: (2-fluorophenyl)-[4-[(1-methyl-2-pyrrolyl)methyl]-1-piperazinyl]methanone; oxalic acid IUPAC Name: (2-fluorophenyl)-[4-[(1-methylpyrrol-2-yl)methyl]piperazin-1-yl]methanone; oxalic acid Traditional Name: (2-fluorophenyl)-[4-[(1-methylpyrrol-2-yl)methyl]piperazino]methanone; oxalic acid Formula: C19H22FN3O5 MolecularWeight: 391.393483

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1CN2CCN(CC2)C(=O)C3=CC=CC=C3F.C(=O)(C(=O)O)O

Isomeric SMILES

CN1C=CC=C1CN2CCN(CC2)C(=O)C3=CC=CC=C3F.C(=O)(C(=O)O)O

InChI

InChI=1S/C17H20FN3O.C2H2O4/c1-19-8-4-5-14(19)13-20-9-11-21(12-10-20)17(22)15-6-2-3-7-16(15)18;3-1(4)2(5)6/h2-8H,9-13H2,1H3;(H,3,4)(H,5,6)