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

Systemtic Name: ethanedioic acid; (3-fluorophenyl)-[4-[(1-methylpyrrol-2-yl)methyl]piperazin-1-yl]methanone Openeye Name: (3-fluorophenyl)-[4-[(1-methylpyrrol-2-yl)methyl]piperazin-1-yl]methanone; oxalic acid CAS Name: (3-fluorophenyl)-[4-[(1-methyl-2-pyrrolyl)methyl]-1-piperazinyl]methanone; oxalic acid IUPAC Name: (3-fluorophenyl)-[4-[(1-methylpyrrol-2-yl)methyl]piperazin-1-yl]methanone; oxalic acid Traditional Name: (3-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=C3)F.C(=O)(C(=O)O)O

Isomeric SMILES

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

InChI

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