N-[[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]methyl]-2-(1H-imidazol-5-yl)ethanamine

Systemtic Name: N-[[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]methyl]-2-(1H-imidazol-5-yl)ethanamine Openeye Name: N-[[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]methyl]-2-(1H-imidazol-5-yl)ethanamine CAS Name: N-[[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]methyl]-2-(1H-imidazol-5-yl)ethanamine IUPAC Name: N-[[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]methyl]-2-(1H-imidazol-5-yl)ethanamine Traditional Name: [5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]methyl-[2-(1H-imidazol-5-yl)ethyl]amine Formula: C16H17N5O2 MolecularWeight: 311.33848

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=C(C=NN3)CNCCC4=CN=CN4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=C(C=NN3)CNCCC4=CN=CN4

InChI

InChI=1S/C16H17N5O2/c1-2-14-15(23-10-22-14)5-11(1)16-12(7-20-21-16)6-17-4-3-13-8-18-9-19-13/h1-2,5,7-9,17H,3-4,6,10H2,(H,18,19)(H,20,21)