methyl 4-[[2-[5-(1,3-benzodioxol-5-ylcarbonylamino)-3-methyl-pyrazol-1-yl]benzimidazol-1-yl]methyl]benzoate

Systemtic Name: methyl 4-[[2-[5-(1,3-benzodioxol-5-ylcarbonylamino)-3-methyl-pyrazol-1-yl]benzimidazol-1-yl]methyl]benzoate Openeye Name: methyl 4-[[2-[5-(1,3-benzodioxole-5-carbonylamino)-3-methyl-pyrazol-1-yl]benzimidazol-1-yl]methyl]benzoate CAS Name: 4-[[2-[5-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-3-methyl-1-pyrazolyl]-1-benzimidazolyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[5-(1,3-benzodioxole-5-carbonylamino)-3-methylpyrazol-1-yl]benzimidazol-1-yl]methyl]benzoate Traditional Name: 4-[[2-[3-methyl-5-(piperonyloylamino)pyrazol-1-yl]benzimidazol-1-yl]methyl]benzoic acid methyl ester Formula: C28H23N5O5 MolecularWeight: 509.51272

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)NC(=O)C2=CC3=C(C=C2)OCO3)C4=NC5=CC=CC=C5N4CC6=CC=C(C=C6)C(=O)OC

Isomeric SMILES

CC1=NN(C(=C1)NC(=O)C2=CC3=C(C=C2)OCO3)C4=NC5=CC=CC=C5N4CC6=CC=C(C=C6)C(=O)OC

InChI

InChI=1S/C28H23N5O5/c1-17-13-25(30-26(34)20-11-12-23-24(14-20)38-16-37-23)33(31-17)28-29-21-5-3-4-6-22(21)32(28)15-18-7-9-19(10-8-18)27(35)36-2/h3-14H,15-16H2,1-2H3,(H,30,34)