2-(4-chloranylphenoxy)-1-[4-(4-phenylpiperazin-1-yl)piperidin-1-yl]ethanone; ethanedioic acid

Systemtic Name: 2-(4-chloranylphenoxy)-1-[4-(4-phenylpiperazin-1-yl)piperidin-1-yl]ethanone; ethanedioic acid Openeye Name: 2-(4-chlorophenoxy)-1-[4-(4-phenylpiperazin-1-yl)-1-piperidyl]ethanone; oxalic acid CAS Name: 2-(4-chlorophenoxy)-1-[4-(4-phenyl-1-piperazinyl)-1-piperidinyl]ethanone; oxalic acid IUPAC Name: 2-(4-chlorophenoxy)-1-[4-(4-phenylpiperazin-1-yl)piperidin-1-yl]ethanone; oxalic acid Traditional Name: 2-(4-chlorophenoxy)-1-[4-(4-phenylpiperazino)piperidino]ethanone; oxalic acid Formula: C25H30ClN3O6 MolecularWeight: 503.9752

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2CCN(CC2)C3=CC=CC=C3)C(=O)COC4=CC=C(C=C4)Cl.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCC1N2CCN(CC2)C3=CC=CC=C3)C(=O)COC4=CC=C(C=C4)Cl.C(=O)(C(=O)O)O

InChI

InChI=1S/C23H28ClN3O2.C2H2O4/c24-19-6-8-22(9-7-19)29-18-23(28)27-12-10-21(11-13-27)26-16-14-25(15-17-26)20-4-2-1-3-5-20;3-1(4)2(5)6/h1-9,21H,10-18H2;(H,3,4)(H,5,6)