ethanedioic acid; [4-(3-phenylpropyl)piperazin-1-yl]-pyridin-3-yl-methanone

Systemtic Name: ethanedioic acid; [4-(3-phenylpropyl)piperazin-1-yl]-pyridin-3-yl-methanone Openeye Name: oxalic acid; [4-(3-phenylpropyl)piperazin-1-yl]-(3-pyridyl)methanone CAS Name: oxalic acid; [4-(3-phenylpropyl)-1-piperazinyl]-(3-pyridinyl)methanone IUPAC Name: oxalic acid; [4-(3-phenylpropyl)piperazin-1-yl]-pyridin-3-ylmethanone Traditional Name: oxalic acid; [4-(3-phenylpropyl)piperazino]-(3-pyridyl)methanone Formula: C21H25N3O5 MolecularWeight: 399.4403

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCC2=CC=CC=C2)C(=O)C3=CN=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCN1CCCC2=CC=CC=C2)C(=O)C3=CN=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H23N3O.C2H2O4/c23-19(18-9-4-10-20-16-18)22-14-12-21(13-15-22)11-5-8-17-6-2-1-3-7-17;3-1(4)2(5)6/h1-4,6-7,9-10,16H,5,8,11-15H2;(H,3,4)(H,5,6)