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

Systemtic Name: N-[[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]methyl]-2-(4-phenyl-1,3-thiazol-2-yl)ethanamine Openeye Name: N-[[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]methyl]-2-(4-phenylthiazol-2-yl)ethanamine CAS Name: N-[[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]methyl]-2-(4-phenyl-2-thiazolyl)ethanamine IUPAC Name: N-[[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]methyl]-2-(4-phenyl-1,3-thiazol-2-yl)ethanamine Traditional Name: [5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]methyl-[2-(4-phenylthiazol-2-yl)ethyl]amine Formula: C22H20N4O2S MolecularWeight: 404.4848

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=C(C=NN3)CNCCC4=NC(=CS4)C5=CC=CC=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=C(C=NN3)CNCCC4=NC(=CS4)C5=CC=CC=C5

InChI

InChI=1S/C22H20N4O2S/c1-2-4-15(5-3-1)18-13-29-21(25-18)8-9-23-11-17-12-24-26-22(17)16-6-7-19-20(10-16)28-14-27-19/h1-7,10,12-13,23H,8-9,11,14H2,(H,24,26)