ethyl 6-(1,3-benzodioxol-5-yl)-6-phenyl-1,7-dihydroindazole-3-carboxylate

Systemtic Name: ethyl 6-(1,3-benzodioxol-5-yl)-6-phenyl-1,7-dihydroindazole-3-carboxylate Openeye Name: ethyl 6-(1,3-benzodioxol-5-yl)-6-phenyl-1,7-dihydroindazole-3-carboxylate CAS Name: 6-(1,3-benzodioxol-5-yl)-6-phenyl-1,7-dihydroindazole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-(1,3-benzodioxol-5-yl)-6-phenyl-1,7-dihydroindazole-3-carboxylate Traditional Name: 6-(1,3-benzodioxol-5-yl)-6-phenyl-1,7-dihydroindazole-3-carboxylic acid ethyl ester Formula: C23H20N2O4 MolecularWeight: 388.4159

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NNC2=C1C=CC(C2)(C3=CC=CC=C3)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCOC(=O)C1=NNC2=C1C=CC(C2)(C3=CC=CC=C3)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H20N2O4/c1-2-27-22(26)21-17-10-11-23(13-18(17)24-25-21,15-6-4-3-5-7-15)16-8-9-19-20(12-16)29-14-28-19/h3-12H,2,13-14H2,1H3,(H,24,25)