aziridin-1-yl-[6-phenyl-6-(2,3,4-trimethoxyphenyl)-1,7-dihydroindazol-3-yl]methanone

Systemtic Name: aziridin-1-yl-[6-phenyl-6-(2,3,4-trimethoxyphenyl)-1,7-dihydroindazol-3-yl]methanone Openeye Name: aziridin-1-yl-[6-phenyl-6-(2,3,4-trimethoxyphenyl)-1,7-dihydroindazol-3-yl]methanone CAS Name: 1-aziridinyl-[6-phenyl-6-(2,3,4-trimethoxyphenyl)-1,7-dihydroindazol-3-yl]methanone IUPAC Name: aziridin-1-yl-[6-phenyl-6-(2,3,4-trimethoxyphenyl)-1,7-dihydroindazol-3-yl]methanone Traditional Name: ethylenimino-[6-phenyl-6-(2,3,4-trimethoxyphenyl)-1,7-dihydroindazol-3-yl]methanone Formula: C25H25N3O4 MolecularWeight: 431.4837

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C2(CC3=C(C=C2)C(=NN3)C(=O)N4CC4)C5=CC=CC=C5)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)C2(CC3=C(C=C2)C(=NN3)C(=O)N4CC4)C5=CC=CC=C5)OC)OC

InChI

InChI=1S/C25H25N3O4/c1-30-20-10-9-18(22(31-2)23(20)32-3)25(16-7-5-4-6-8-16)12-11-17-19(15-25)26-27-21(17)24(29)28-13-14-28/h4-12H,13-15H2,1-3H3,(H,26,27)