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

Systemtic Name: N-[[3-(1,3-benzodioxol-5-yl)-1-phenyl-pyrazol-4-yl]methyl]-2-pyridin-2-yl-ethanamine Openeye Name: N-[[3-(1,3-benzodioxol-5-yl)-1-phenyl-pyrazol-4-yl]methyl]-2-(2-pyridyl)ethanamine CAS Name: N-[[3-(1,3-benzodioxol-5-yl)-1-phenyl-4-pyrazolyl]methyl]-2-(2-pyridinyl)ethanamine IUPAC Name: N-[[3-(1,3-benzodioxol-5-yl)-1-phenylpyrazol-4-yl]methyl]-2-pyridin-2-ylethanamine Traditional Name: [3-(1,3-benzodioxol-5-yl)-1-phenyl-pyrazol-4-yl]methyl-[2-(2-pyridyl)ethyl]amine Formula: C24H22N4O2 MolecularWeight: 398.45708

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=NN(C=C3CNCCC4=CC=CC=N4)C5=CC=CC=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=NN(C=C3CNCCC4=CC=CC=N4)C5=CC=CC=C5

InChI

InChI=1S/C24H22N4O2/c1-2-7-21(8-3-1)28-16-19(15-25-13-11-20-6-4-5-12-26-20)24(27-28)18-9-10-22-23(14-18)30-17-29-22/h1-10,12,14,16,25H,11,13,15,17H2