ethanedioic acid; [4-[(4-ethylphenyl)methyl]piperazin-1-yl]-pyridin-4-yl-methanone

Systemtic Name: ethanedioic acid; [4-[(4-ethylphenyl)methyl]piperazin-1-yl]-pyridin-4-yl-methanone Openeye Name: [4-[(4-ethylphenyl)methyl]piperazin-1-yl]-(4-pyridyl)methanone; oxalic acid CAS Name: [4-[(4-ethylphenyl)methyl]-1-piperazinyl]-pyridin-4-ylmethanone; oxalic acid IUPAC Name: [4-[(4-ethylphenyl)methyl]piperazin-1-yl]-pyridin-4-ylmethanone; oxalic acid Traditional Name: [4-(4-ethylbenzyl)piperazino]-(4-pyridyl)methanone; oxalic acid Formula: C21H25N3O5 MolecularWeight: 399.4403

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CN2CCN(CC2)C(=O)C3=CC=NC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

CCC1=CC=C(C=C1)CN2CCN(CC2)C(=O)C3=CC=NC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H23N3O.C2H2O4/c1-2-16-3-5-17(6-4-16)15-21-11-13-22(14-12-21)19(23)18-7-9-20-10-8-18;3-1(4)2(5)6/h3-10H,2,11-15H2,1H3;(H,3,4)(H,5,6)