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

Systemtic Name: ethanedioic acid; (4-phenylphenyl)-[4-(4-phenylpiperazin-1-yl)piperidin-1-yl]methanone Openeye Name: oxalic acid; (4-phenylphenyl)-[4-(4-phenylpiperazin-1-yl)-1-piperidyl]methanone CAS Name: oxalic acid; (4-phenylphenyl)-[4-(4-phenyl-1-piperazinyl)-1-piperidinyl]methanone IUPAC Name: oxalic acid; (4-phenylphenyl)-[4-(4-phenylpiperazin-1-yl)piperidin-1-yl]methanone Traditional Name: oxalic acid; (4-phenylphenyl)-[4-(4-phenylpiperazino)piperidino]methanone Formula: C30H33N3O5 MolecularWeight: 515.60012

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2CCN(CC2)C3=CC=CC=C3)C(=O)C4=CC=C(C=C4)C5=CC=CC=C5.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCC1N2CCN(CC2)C3=CC=CC=C3)C(=O)C4=CC=C(C=C4)C5=CC=CC=C5.C(=O)(C(=O)O)O

InChI

InChI=1S/C28H31N3O.C2H2O4/c32-28(25-13-11-24(12-14-25)23-7-3-1-4-8-23)31-17-15-27(16-18-31)30-21-19-29(20-22-30)26-9-5-2-6-10-26;3-1(4)2(5)6/h1-14,27H,15-22H2;(H,3,4)(H,5,6)