2-[5,6-dimethoxy-1-[[1-(triphenylmethyl)imidazol-4-yl]methyl]indazol-3-yl]ethanenitrile

Systemtic Name: 2-[5,6-dimethoxy-1-[[1-(triphenylmethyl)imidazol-4-yl]methyl]indazol-3-yl]ethanenitrile Openeye Name: 2-[5,6-dimethoxy-1-[(1-tritylimidazol-4-yl)methyl]indazol-3-yl]acetonitrile CAS Name: 2-[5,6-dimethoxy-1-[[1-(triphenylmethyl)-4-imidazolyl]methyl]-3-indazolyl]acetonitrile IUPAC Name: 2-[5,6-dimethoxy-1-[(1-tritylimidazol-4-yl)methyl]indazol-3-yl]acetonitrile Traditional Name: 2-[5,6-dimethoxy-1-[(1-tritylimidazol-4-yl)methyl]indazol-3-yl]acetonitrile Formula: C34H29N5O2 MolecularWeight: 539.62636

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NN2CC3=CN(C=N3)C(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)CC#N)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NN2CC3=CN(C=N3)C(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)CC#N)OC

InChI

InChI=1S/C34H29N5O2/c1-40-32-20-29-30(18-19-35)37-39(31(29)21-33(32)41-2)23-28-22-38(24-36-28)34(25-12-6-3-7-13-25,26-14-8-4-9-15-26)27-16-10-5-11-17-27/h3-17,20-22,24H,18,23H2,1-2H3