4,6-bis(azepan-1-yl)-N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-1,3,5-triazin-2-amine

Systemtic Name: 4,6-bis(azepan-1-yl)-N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-1,3,5-triazin-2-amine Openeye Name: 4,6-bis(azepan-1-yl)-N-[(E)-1,3-benzodioxol-5-ylmethyleneamino]-1,3,5-triazin-2-amine CAS Name: 4,6-bis(1-azepanyl)-N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-1,3,5-triazin-2-amine IUPAC Name: 4,6-bis(azepan-1-yl)-N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-1,3,5-triazin-2-amine Traditional Name: [4,6-bis(azepan-1-yl)-s-triazin-2-yl]-[(E)-piperonylideneamino]amine Formula: C23H31N7O2 MolecularWeight: 437.53794

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=NC(=NC(=N2)NN=CC3=CC4=C(C=C3)OCO4)N5CCCCCC5

Isomeric SMILES

C1CCCN(CC1)C2=NC(=NC(=N2)N/N=C/C3=CC4=C(C=C3)OCO4)N5CCCCCC5

InChI

InChI=1S/C23H31N7O2/c1-2-6-12-29(11-5-1)22-25-21(26-23(27-22)30-13-7-3-4-8-14-30)28-24-16-18-9-10-19-20(15-18)32-17-31-19/h9-10,15-16H,1-8,11-14,17H2,(H,25,26,27,28)/b24-16+