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

Systemtic Name: ethanedioic acid; [1-[1-(phenylmethyl)piperidin-4-yl]piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone Openeye Name: [1-(1-benzyl-4-piperidyl)-3-piperidyl]-(4-phenylpiperazin-1-yl)methanone; oxalic acid CAS Name: oxalic acid; [1-[1-(phenylmethyl)-4-piperidinyl]-3-piperidinyl]-(4-phenyl-1-piperazinyl)methanone IUPAC Name: [1-(1-benzylpiperidin-4-yl)piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone; oxalic acid Traditional Name: [1-(1-benzyl-4-piperidyl)-3-piperidyl]-(4-phenylpiperazino)methanone; oxalic acid Formula: C30H40N4O5 MolecularWeight: 536.6624

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2CCN(CC2)CC3=CC=CC=C3)C(=O)N4CCN(CC4)C5=CC=CC=C5.C(=O)(C(=O)O)O

Isomeric SMILES

C1CC(CN(C1)C2CCN(CC2)CC3=CC=CC=C3)C(=O)N4CCN(CC4)C5=CC=CC=C5.C(=O)(C(=O)O)O

InChI

InChI=1S/C28H38N4O.C2H2O4/c33-28(31-20-18-30(19-21-31)26-11-5-2-6-12-26)25-10-7-15-32(23-25)27-13-16-29(17-14-27)22-24-8-3-1-4-9-24;3-1(4)2(5)6/h1-6,8-9,11-12,25,27H,7,10,13-23H2;(H,3,4)(H,5,6)