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

Systemtic Name: N-[[5-carbamimidoyl-1-[2-oxidanylidene-2-(1-phenylethylamino)ethyl]benzimidazol-2-yl]methyl]-N-(4-cyclohexyloxyphenyl)-4-methyl-benzamide Openeye Name: N-[[5-carbamimidoyl-1-[2-oxo-2-(1-phenylethylamino)ethyl]benzimidazol-2-yl]methyl]-N-[4-(cyclohexoxy)phenyl]-4-methyl-benzamide CAS Name: N-[[5-carbamimidoyl-1-[2-oxo-2-(1-phenylethylamino)ethyl]-2-benzimidazolyl]methyl]-N-(4-cyclohexyloxyphenyl)-4-methylbenzamide IUPAC Name: N-[[5-carbamimidoyl-1-[2-oxo-2-(1-phenylethylamino)ethyl]benzimidazol-2-yl]methyl]-N-(4-cyclohexyloxyphenyl)-4-methylbenzamide Traditional Name: N-[[5-amidino-1-[2-keto-2-(1-phenylethylamino)ethyl]benzimidazol-2-yl]methyl]-N-[4-(cyclohexoxy)phenyl]-4-methyl-benzamide Formula: C39H42N6O3 MolecularWeight: 642.78918

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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)C(=N)N)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)C(=N)N)C5=CC=C(C=C5)OC6CCCCC6

InChI

InChI=1S/C39H42N6O3/c1-26-13-15-29(16-14-26)39(47)44(31-18-20-33(21-19-31)48-32-11-7-4-8-12-32)24-36-43-34-23-30(38(40)41)17-22-35(34)45(36)25-37(46)42-27(2)28-9-5-3-6-10-28/h3,5-6,9-10,13-23,27,32H,4,7-8,11-12,24-25H2,1-2H3,(H3,40,41)(H,42,46)