N2-[(E)-(6-bromanyl-1,3-benzodioxol-5-yl)methylideneamino]-N4-phenyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine

Systemtic Name: N2-[(E)-(6-bromanyl-1,3-benzodioxol-5-yl)methylideneamino]-N4-phenyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine Openeye Name: N2-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methyleneamino]-N4-phenyl-6-(1-piperidyl)-1,3,5-triazine-2,4-diamine CAS Name: N2-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-N4-phenyl-6-(1-piperidinyl)-1,3,5-triazine-2,4-diamine IUPAC Name: 2-N-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-4-N-phenyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine Traditional Name: (4-anilino-6-piperidino-s-triazin-2-yl)-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methyleneamino]amine Formula: C22H22BrN7O2 MolecularWeight: 496.35978

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=NC(=NC(=N2)NN=CC3=CC4=C(C=C3Br)OCO4)NC5=CC=CC=C5

Isomeric SMILES

C1CCN(CC1)C2=NC(=NC(=N2)N/N=C/C3=CC4=C(C=C3Br)OCO4)NC5=CC=CC=C5

InChI

InChI=1S/C22H22BrN7O2/c23-17-12-19-18(31-14-32-19)11-15(17)13-24-29-21-26-20(25-16-7-3-1-4-8-16)27-22(28-21)30-9-5-2-6-10-30/h1,3-4,7-8,11-13H,2,5-6,9-10,14H2,(H2,25,26,27,28,29)/b24-13+