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

Systemtic Name: N-(4-cyclohexyloxyphenyl)-N-[[5-isocyano-1-[2-oxidanylidene-2-(1-phenylethylamino)ethyl]benzimidazol-2-yl]methyl]-4-methyl-benzamide Openeye Name: N-[4-(cyclohexoxy)phenyl]-N-[[5-isocyano-1-[2-oxo-2-(1-phenylethylamino)ethyl]benzimidazol-2-yl]methyl]-4-methyl-benzamide CAS Name: N-(4-cyclohexyloxyphenyl)-N-[[5-isocyano-1-[2-oxo-2-(1-phenylethylamino)ethyl]-2-benzimidazolyl]methyl]-4-methylbenzamide IUPAC Name: N-(4-cyclohexyloxyphenyl)-N-[[5-isocyano-1-[2-oxo-2-(1-phenylethylamino)ethyl]benzimidazol-2-yl]methyl]-4-methylbenzamide Traditional Name: N-[4-(cyclohexoxy)phenyl]-N-[[5-isocyano-1-[2-keto-2-(1-phenylethylamino)ethyl]benzimidazol-2-yl]methyl]-4-methyl-benzamide Formula: C39H39N5O3 MolecularWeight: 625.75866

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N(CC2=NC3=C(N2CC(=O)NC(C)C4=CC=CC=C4)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)NC(C)C4=CC=CC=C4)C=CC(=C3)[N+]#[C-])C5=CC=C(C=C5)OC6CCCCC6

InChI

InChI=1S/C39H39N5O3/c1-27-14-16-30(17-15-27)39(46)43(32-19-21-34(22-20-32)47-33-12-8-5-9-13-33)25-37-42-35-24-31(40-3)18-23-36(35)44(37)26-38(45)41-28(2)29-10-6-4-7-11-29/h4,6-7,10-11,14-24,28,33H,5,8-9,12-13,25-26H2,1-2H3,(H,41,45)