3-[[4-(3a,4-dihydro-1,3-benzodioxol-5-yl)-5-(6-ethylpyridin-2-yl)-1H-imidazol-2-yl]methylamino]benzenecarbonitrile

Systemtic Name: 3-[[4-(3a,4-dihydro-1,3-benzodioxol-5-yl)-5-(6-ethylpyridin-2-yl)-1H-imidazol-2-yl]methylamino]benzenecarbonitrile Openeye Name: 3-[[4-(3a,4-dihydro-1,3-benzodioxol-5-yl)-5-(6-ethyl-2-pyridyl)-1H-imidazol-2-yl]methylamino]benzonitrile CAS Name: 3-[[4-(3a,4-dihydro-1,3-benzodioxol-5-yl)-5-(6-ethyl-2-pyridinyl)-1H-imidazol-2-yl]methylamino]benzonitrile IUPAC Name: 3-[[4-(3a,4-dihydro-1,3-benzodioxol-5-yl)-5-(6-ethylpyridin-2-yl)-1H-imidazol-2-yl]methylamino]benzonitrile Traditional Name: 3-[[4-(3a,4-dihydro-1,3-benzodioxol-5-yl)-5-(6-ethyl-2-pyridyl)-1H-imidazol-2-yl]methylamino]benzonitrile Formula: C25H23N5O2 MolecularWeight: 425.48242

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=N1)C2=C(N=C(N2)CNC3=CC=CC(=C3)C#N)C4=CC=C5C(C4)OCO5

Isomeric SMILES

CCC1=CC=CC(=N1)C2=C(N=C(N2)CNC3=CC=CC(=C3)C#N)C4=CC=C5C(C4)OCO5

InChI

InChI=1S/C25H23N5O2/c1-2-18-6-4-8-20(28-18)25-24(17-9-10-21-22(12-17)32-15-31-21)29-23(30-25)14-27-19-7-3-5-16(11-19)13-26/h3-11,22,27H,2,12,14-15H2,1H3,(H,29,30)