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

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(4-phenylphenyl)methanone; ethanedioic acid Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(4-phenylphenyl)methanone; oxalic acid CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-(4-phenylphenyl)methanone; oxalic acid IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(4-phenylphenyl)methanone; oxalic acid Traditional Name: oxalic acid; (4-phenylphenyl)-(4-piperonylpiperazino)methanone Formula: C27H26N2O7 MolecularWeight: 490.50454

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H24N2O3.C2H2O4/c28-25(22-9-7-21(8-10-22)20-4-2-1-3-5-20)27-14-12-26(13-15-27)17-19-6-11-23-24(16-19)30-18-29-23;3-1(4)2(5)6/h1-11,16H,12-15,17-18H2;(H,3,4)(H,5,6)