ethanedioic acid; N-[1-[4-(phenylmethyl)piperazin-1-yl]propan-2-yl]aniline

Systemtic Name: ethanedioic acid; N-[1-[4-(phenylmethyl)piperazin-1-yl]propan-2-yl]aniline Openeye Name: N-[2-(4-benzylpiperazin-1-yl)-1-methyl-ethyl]aniline; oxalic acid CAS Name: oxalic acid; N-[1-[4-(phenylmethyl)-1-piperazinyl]propan-2-yl]aniline IUPAC Name: N-[1-(4-benzylpiperazin-1-yl)propan-2-yl]aniline; oxalic acid Traditional Name: [2-(4-benzylpiperazino)-1-methyl-ethyl]-phenyl-amine; oxalic acid Formula: C22H29N3O4 MolecularWeight: 399.48336

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1CCN(CC1)CC2=CC=CC=C2)NC3=CC=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

CC(CN1CCN(CC1)CC2=CC=CC=C2)NC3=CC=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H27N3.C2H2O4/c1-18(21-20-10-6-3-7-11-20)16-22-12-14-23(15-13-22)17-19-8-4-2-5-9-19;3-1(4)2(5)6/h2-11,18,21H,12-17H2,1H3;(H,3,4)(H,5,6)