N-[[1-[2-(cyclohexylamino)-2-oxidanylidene-ethyl]-5-isocyano-benzimidazol-2-yl]methyl]-N-(4-cyclohexyloxyphenyl)-4-methyl-benzamide

Systemtic Name: N-[[1-[2-(cyclohexylamino)-2-oxidanylidene-ethyl]-5-isocyano-benzimidazol-2-yl]methyl]-N-(4-cyclohexyloxyphenyl)-4-methyl-benzamide Openeye Name: N-[4-(cyclohexoxy)phenyl]-N-[[1-[2-(cyclohexylamino)-2-oxo-ethyl]-5-isocyano-benzimidazol-2-yl]methyl]-4-methyl-benzamide CAS Name: N-[[1-[2-(cyclohexylamino)-2-oxoethyl]-5-isocyano-2-benzimidazolyl]methyl]-N-(4-cyclohexyloxyphenyl)-4-methylbenzamide IUPAC Name: N-[[1-[2-(cyclohexylamino)-2-oxoethyl]-5-isocyanobenzimidazol-2-yl]methyl]-N-(4-cyclohexyloxyphenyl)-4-methylbenzamide Traditional Name: N-[4-(cyclohexoxy)phenyl]-N-[[1-[2-(cyclohexylamino)-2-keto-ethyl]-5-isocyano-benzimidazol-2-yl]methyl]-4-methyl-benzamide Formula: C37H41N5O3 MolecularWeight: 603.75314

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N(CC2=NC3=C(N2CC(=O)NC4CCCCC4)C=CC(=C3)[N+]#[C-])C5=CC=C(C=C5)OC6CCCCC6

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N(CC2=NC3=C(N2CC(=O)NC4CCCCC4)C=CC(=C3)[N+]#[C-])C5=CC=C(C=C5)OC6CCCCC6

InChI

InChI=1S/C37H41N5O3/c1-26-13-15-27(16-14-26)37(44)41(30-18-20-32(21-19-30)45-31-11-7-4-8-12-31)24-35-40-33-23-29(38-2)17-22-34(33)42(35)25-36(43)39-28-9-5-3-6-10-28/h13-23,28,31H,3-12,24-25H2,1H3,(H,39,43)