ethanedioic acid; [4-(1H-indol-3-ylmethyl)piperazin-1-yl]-pyridin-4-yl-methanone

Systemtic Name: ethanedioic acid; [4-(1H-indol-3-ylmethyl)piperazin-1-yl]-pyridin-4-yl-methanone Openeye Name: [4-(1H-indol-3-ylmethyl)piperazin-1-yl]-(4-pyridyl)methanone; oxalic acid CAS Name: [4-(1H-indol-3-ylmethyl)-1-piperazinyl]-pyridin-4-ylmethanone; oxalic acid IUPAC Name: [4-(1H-indol-3-ylmethyl)piperazin-1-yl]-pyridin-4-ylmethanone; oxalic acid Traditional Name: [4-(1H-indol-3-ylmethyl)piperazino]-(4-pyridyl)methanone; oxalic acid Formula: C21H22N4O5 MolecularWeight: 410.42318

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CNC3=CC=CC=C32)C(=O)C4=CC=NC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCN1CC2=CNC3=CC=CC=C32)C(=O)C4=CC=NC=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H20N4O.C2H2O4/c24-19(15-5-7-20-8-6-15)23-11-9-22(10-12-23)14-16-13-21-18-4-2-1-3-17(16)18;3-1(4)2(5)6/h1-8,13,21H,9-12,14H2;(H,3,4)(H,5,6)