N-[1-(1H-imidazol-5-yl)-2,2,2-triphenyl-ethyl]-N-[(4-nitrophenyl)methyl]-4-phenoxy-aniline

Systemtic Name: N-[1-(1H-imidazol-5-yl)-2,2,2-triphenyl-ethyl]-N-[(4-nitrophenyl)methyl]-4-phenoxy-aniline Openeye Name: N-[1-(1H-imidazol-5-yl)-2,2,2-triphenyl-ethyl]-N-[(4-nitrophenyl)methyl]-4-phenoxy-aniline CAS Name: N-[1-(1H-imidazol-5-yl)-2,2,2-triphenylethyl]-N-[(4-nitrophenyl)methyl]-4-phenoxyaniline IUPAC Name: N-[1-(1H-imidazol-5-yl)-2,2,2-triphenylethyl]-N-[(4-nitrophenyl)methyl]-4-phenoxyaniline Traditional Name: [1-(1H-imidazol-5-yl)-2,2,2-triphenyl-ethyl]-(4-nitrobenzyl)-(4-phenoxyphenyl)amine Formula: C42H34N4O3 MolecularWeight: 642.74436

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)C(C4=CN=CN4)N(CC5=CC=C(C=C5)[N+](=O)[O-])C6=CC=C(C=C6)OC7=CC=CC=C7

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)C(C4=CN=CN4)N(CC5=CC=C(C=C5)[N+](=O)[O-])C6=CC=C(C=C6)OC7=CC=CC=C7

InChI

InChI=1S/C42H34N4O3/c47-46(48)37-23-21-32(22-24-37)30-45(36-25-27-39(28-26-36)49-38-19-11-4-12-20-38)41(40-29-43-31-44-40)42(33-13-5-1-6-14-33,34-15-7-2-8-16-34)35-17-9-3-10-18-35/h1-29,31,41H,30H2,(H,43,44)