3-cyclopentyl-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propan-1-one; ethanedioic acid

Systemtic Name: 3-cyclopentyl-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propan-1-one; ethanedioic acid Openeye Name: 3-cyclopentyl-1-[4-(3-pyridylmethyl)piperazin-1-yl]propan-1-one; oxalic acid CAS Name: 3-cyclopentyl-1-[4-(3-pyridinylmethyl)-1-piperazinyl]-1-propanone; oxalic acid IUPAC Name: 3-cyclopentyl-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propan-1-one; oxalic acid Traditional Name: 3-cyclopentyl-1-[4-(3-pyridylmethyl)piperazino]propan-1-one; oxalic acid Formula: C20H29N3O5 MolecularWeight: 391.46136

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)CCC(=O)N2CCN(CC2)CC3=CN=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

C1CCC(C1)CCC(=O)N2CCN(CC2)CC3=CN=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H27N3O.C2H2O4/c22-18(8-7-16-4-1-2-5-16)21-12-10-20(11-13-21)15-17-6-3-9-19-14-17;3-1(4)2(5)6/h3,6,9,14,16H,1-2,4-5,7-8,10-13,15H2;(H,3,4)(H,5,6)