5-(1,3-benzodioxol-5-yl)-4-[[3-(2-chlorophenyl)pyrrolidin-1-yl]methyl]-1H-pyrazole

Systemtic Name: 5-(1,3-benzodioxol-5-yl)-4-[[3-(2-chlorophenyl)pyrrolidin-1-yl]methyl]-1H-pyrazole Openeye Name: 5-(1,3-benzodioxol-5-yl)-4-[[3-(2-chlorophenyl)pyrrolidin-1-yl]methyl]-1H-pyrazole CAS Name: 5-(1,3-benzodioxol-5-yl)-4-[[3-(2-chlorophenyl)-1-pyrrolidinyl]methyl]-1H-pyrazole IUPAC Name: 5-(1,3-benzodioxol-5-yl)-4-[[3-(2-chlorophenyl)pyrrolidin-1-yl]methyl]-1H-pyrazole Traditional Name: 5-(1,3-benzodioxol-5-yl)-4-[[3-(2-chlorophenyl)pyrrolidino]methyl]-1H-pyrazole Formula: C21H20ClN3O2 MolecularWeight: 381.8554

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1C2=CC=CC=C2Cl)CC3=C(NN=C3)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CN(CC1C2=CC=CC=C2Cl)CC3=C(NN=C3)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C21H20ClN3O2/c22-18-4-2-1-3-17(18)15-7-8-25(11-15)12-16-10-23-24-21(16)14-5-6-19-20(9-14)27-13-26-19/h1-6,9-10,15H,7-8,11-13H2,(H,23,24)