[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-(4-phenylpiperazin-1-yl)methanone; ethanedioic acid

Systemtic Name: [1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-(4-phenylpiperazin-1-yl)methanone; ethanedioic acid Openeye Name: [1-(1,3-benzodioxol-5-ylmethyl)-4-piperidyl]-(4-phenylpiperazin-1-yl)methanone; oxalic acid CAS Name: [1-(1,3-benzodioxol-5-ylmethyl)-4-piperidinyl]-(4-phenyl-1-piperazinyl)methanone; oxalic acid IUPAC Name: [1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-(4-phenylpiperazin-1-yl)methanone; oxalic acid Traditional Name: oxalic acid; (4-phenylpiperazino)-(1-piperonyl-4-piperidyl)methanone Formula: C26H31N3O7 MolecularWeight: 497.54024

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)N2CCN(CC2)C3=CC=CC=C3)CC4=CC5=C(C=C4)OCO5.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCC1C(=O)N2CCN(CC2)C3=CC=CC=C3)CC4=CC5=C(C=C4)OCO5.C(=O)(C(=O)O)O

InChI

InChI=1S/C24H29N3O3.C2H2O4/c28-24(27-14-12-26(13-15-27)21-4-2-1-3-5-21)20-8-10-25(11-9-20)17-19-6-7-22-23(16-19)30-18-29-22;3-1(4)2(5)6/h1-7,16,20H,8-15,17-18H2;(H,3,4)(H,5,6)