N-[1-(1H-imidazol-5-yl)-2,2,2-triphenyl-ethyl]-N-[(4-nitrophenyl)methyl]-3-phenoxy-aniline

Systemtic Name: N-[1-(1H-imidazol-5-yl)-2,2,2-triphenyl-ethyl]-N-[(4-nitrophenyl)methyl]-3-phenoxy-aniline Openeye Name: N-[1-(1H-imidazol-5-yl)-2,2,2-triphenyl-ethyl]-N-[(4-nitrophenyl)methyl]-3-phenoxy-aniline CAS Name: N-[1-(1H-imidazol-5-yl)-2,2,2-triphenylethyl]-N-[(4-nitrophenyl)methyl]-3-phenoxyaniline IUPAC Name: N-[1-(1H-imidazol-5-yl)-2,2,2-triphenylethyl]-N-[(4-nitrophenyl)methyl]-3-phenoxyaniline Traditional Name: [1-(1H-imidazol-5-yl)-2,2,2-triphenyl-ethyl]-(4-nitrobenzyl)-(3-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(=CC=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(=CC=C6)OC7=CC=CC=C7

InChI

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