N-[[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]methyl]-1-isoquinolin-5-yl-N-methyl-methanamine

Systemtic Name: N-[[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]methyl]-1-isoquinolin-5-yl-N-methyl-methanamine Openeye Name: N-[[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]methyl]-1-(5-isoquinolyl)-N-methyl-methanamine CAS Name: N-[[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]methyl]-1-(5-isoquinolinyl)-N-methylmethanamine IUPAC Name: N-[[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]methyl]-1-isoquinolin-5-yl-N-methylmethanamine Traditional Name: [5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]methyl-(5-isoquinolylmethyl)-methyl-amine Formula: C22H20N4O2 MolecularWeight: 372.4198

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC2=C1C=CN=C2)CC3=C(NN=C3)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CN(CC1=CC=CC2=C1C=CN=C2)CC3=C(NN=C3)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H20N4O2/c1-26(12-17-4-2-3-16-10-23-8-7-19(16)17)13-18-11-24-25-22(18)15-5-6-20-21(9-15)28-14-27-20/h2-11H,12-14H2,1H3,(H,24,25)