ethanedioic acid; phenyl-[4-(phenylmethyl)piperazin-1-yl]methanone

Systemtic Name: ethanedioic acid; phenyl-[4-(phenylmethyl)piperazin-1-yl]methanone Openeye Name: (4-benzylpiperazin-1-yl)-phenyl-methanone; oxalic acid CAS Name: oxalic acid; phenyl-[4-(phenylmethyl)-1-piperazinyl]methanone IUPAC Name: (4-benzylpiperazin-1-yl)-phenylmethanone; oxalic acid Traditional Name: (4-benzylpiperazino)-phenyl-methanone; oxalic acid Formula: C20H22N2O5 MolecularWeight: 370.39908

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=CC=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=CC=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H20N2O.C2H2O4/c21-18(17-9-5-2-6-10-17)20-13-11-19(12-14-20)15-16-7-3-1-4-8-16;3-1(4)2(5)6/h1-10H,11-15H2;(H,3,4)(H,5,6)