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

Systemtic Name: [4-(2,3-dimethylphenyl)piperazin-1-yl]-[1-(pyridin-3-ylmethyl)piperidin-4-yl]methanone; ethanedioic acid Openeye Name: [4-(2,3-dimethylphenyl)piperazin-1-yl]-[1-(3-pyridylmethyl)-4-piperidyl]methanone; oxalic acid CAS Name: [4-(2,3-dimethylphenyl)-1-piperazinyl]-[1-(3-pyridinylmethyl)-4-piperidinyl]methanone; oxalic acid IUPAC Name: [4-(2,3-dimethylphenyl)piperazin-1-yl]-[1-(pyridin-3-ylmethyl)piperidin-4-yl]methanone; oxalic acid Traditional Name: [4-(2,3-dimethylphenyl)piperazino]-[1-(3-pyridylmethyl)-4-piperidyl]methanone; oxalic acid Formula: C26H34N4O5 MolecularWeight: 482.57196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H32N4O.C2H2O4/c1-19-5-3-7-23(20(19)2)27-13-15-28(16-14-27)24(29)22-8-11-26(12-9-22)18-21-6-4-10-25-17-21;3-1(4)2(5)6/h3-7,10,17,22H,8-9,11-16,18H2,1-2H3;(H,3,4)(H,5,6)