N1,N3,N5-tris(1,3-benzodioxol-5-ylmethyl)benzene-1,3,5-tricarboxamide

Systemtic Name: N1,N3,N5-tris(1,3-benzodioxol-5-ylmethyl)benzene-1,3,5-tricarboxamide Openeye Name: N1,N3,N5-tris(1,3-benzodioxol-5-ylmethyl)benzene-1,3,5-tricarboxamide CAS Name: N1,N3,N5-tris(1,3-benzodioxol-5-ylmethyl)benzene-1,3,5-tricarboxamide IUPAC Name: 1-N,3-N,5-N-tris(1,3-benzodioxol-5-ylmethyl)benzene-1,3,5-tricarboxamide Traditional Name: N1,N3,N5-tripiperonylbenzene-1,3,5-tricarboxamide Formula: C33H27N3O9 MolecularWeight: 609.58218

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=CC(=CC(=C3)C(=O)NCC4=CC5=C(C=C4)OCO5)C(=O)NCC6=CC7=C(C=C6)OCO7

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=CC(=CC(=C3)C(=O)NCC4=CC5=C(C=C4)OCO5)C(=O)NCC6=CC7=C(C=C6)OCO7

InChI

InChI=1S/C33H27N3O9/c37-31(34-13-19-1-4-25-28(7-19)43-16-40-25)22-10-23(32(38)35-14-20-2-5-26-29(8-20)44-17-41-26)12-24(11-22)33(39)36-15-21-3-6-27-30(9-21)45-18-42-27/h1-12H,13-18H2,(H,34,37)(H,35,38)(H,36,39)