2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(diphenylmethyl)ethanamide; ethanedioic acid

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(diphenylmethyl)ethanamide; ethanedioic acid Openeye Name: N-benzhydryl-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]acetamide; oxalic acid CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-N-(diphenylmethyl)acetamide; oxalic acid IUPAC Name: N-benzhydryl-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]acetamide; oxalic acid Traditional Name: N-benzhydryl-2-(4-piperonylpiperazino)acetamide; oxalic acid Formula: C31H33N3O11 MolecularWeight: 623.60722

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)CC(=O)NC(C4=CC=CC=C4)C5=CC=CC=C5.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)CC(=O)NC(C4=CC=CC=C4)C5=CC=CC=C5.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C27H29N3O3.2C2H2O4/c31-26(28-27(22-7-3-1-4-8-22)23-9-5-2-6-10-23)19-30-15-13-29(14-16-30)18-21-11-12-24-25(17-21)33-20-32-24;2*3-1(4)2(5)6/h1-12,17,27H,13-16,18-20H2,(H,28,31);2*(H,3,4)(H,5,6)