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

Systemtic Name: N-[[3-(1,3-benzodioxol-5-yl)-1-phenyl-pyrazol-4-yl]methyl]-1-(5-ethylpyridin-2-yl)methanamine Openeye Name: N-[[3-(1,3-benzodioxol-5-yl)-1-phenyl-pyrazol-4-yl]methyl]-1-(5-ethyl-2-pyridyl)methanamine CAS Name: N-[[3-(1,3-benzodioxol-5-yl)-1-phenyl-4-pyrazolyl]methyl]-1-(5-ethyl-2-pyridinyl)methanamine IUPAC Name: N-[[3-(1,3-benzodioxol-5-yl)-1-phenylpyrazol-4-yl]methyl]-1-(5-ethylpyridin-2-yl)methanamine Traditional Name: [3-(1,3-benzodioxol-5-yl)-1-phenyl-pyrazol-4-yl]methyl-[(5-ethyl-2-pyridyl)methyl]amine Formula: C25H24N4O2 MolecularWeight: 412.48366

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CN=C(C=C1)CNCC2=CN(N=C2C3=CC4=C(C=C3)OCO4)C5=CC=CC=C5

Isomeric SMILES

CCC1=CN=C(C=C1)CNCC2=CN(N=C2C3=CC4=C(C=C3)OCO4)C5=CC=CC=C5

InChI

InChI=1S/C25H24N4O2/c1-2-18-8-10-21(27-13-18)15-26-14-20-16-29(22-6-4-3-5-7-22)28-25(20)19-9-11-23-24(12-19)31-17-30-23/h3-13,16,26H,2,14-15,17H2,1H3