ethanedioic acid; [4-(4-phenylpiperazin-1-yl)piperidin-1-yl]-pyridin-3-yl-methanone

Systemtic Name: ethanedioic acid; [4-(4-phenylpiperazin-1-yl)piperidin-1-yl]-pyridin-3-yl-methanone Openeye Name: oxalic acid; [4-(4-phenylpiperazin-1-yl)-1-piperidyl]-(3-pyridyl)methanone CAS Name: oxalic acid; [4-(4-phenyl-1-piperazinyl)-1-piperidinyl]-(3-pyridinyl)methanone IUPAC Name: oxalic acid; [4-(4-phenylpiperazin-1-yl)piperidin-1-yl]-pyridin-3-ylmethanone Traditional Name: oxalic acid; [4-(4-phenylpiperazino)piperidino]-(3-pyridyl)methanone Formula: C23H28N4O5 MolecularWeight: 440.49222

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2CCN(CC2)C3=CC=CC=C3)C(=O)C4=CN=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCC1N2CCN(CC2)C3=CC=CC=C3)C(=O)C4=CN=CC=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H26N4O.C2H2O4/c26-21(18-5-4-10-22-17-18)25-11-8-20(9-12-25)24-15-13-23(14-16-24)19-6-2-1-3-7-19;3-1(4)2(5)6/h1-7,10,17,20H,8-9,11-16H2;(H,3,4)(H,5,6)