[4-(2,3-dimethylphenyl)piperazin-1-yl]-[1-(phenylmethyl)piperidin-4-yl]methanone; ethanedioic acid

Systemtic Name: [4-(2,3-dimethylphenyl)piperazin-1-yl]-[1-(phenylmethyl)piperidin-4-yl]methanone; ethanedioic acid Openeye Name: (1-benzyl-4-piperidyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone; oxalic acid CAS Name: [4-(2,3-dimethylphenyl)-1-piperazinyl]-[1-(phenylmethyl)-4-piperidinyl]methanone; oxalic acid IUPAC Name: (1-benzylpiperidin-4-yl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone; oxalic acid Traditional Name: (1-benzyl-4-piperidyl)-[4-(2,3-dimethylphenyl)piperazino]methanone; oxalic acid Formula: C27H35N3O5 MolecularWeight: 481.5839

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C3CCN(CC3)CC4=CC=CC=C4)C.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C3CCN(CC3)CC4=CC=CC=C4)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C25H33N3O.C2H2O4/c1-20-7-6-10-24(21(20)2)27-15-17-28(18-16-27)25(29)23-11-13-26(14-12-23)19-22-8-4-3-5-9-22;3-1(4)2(5)6/h3-10,23H,11-19H2,1-2H3;(H,3,4)(H,5,6)