2-[5-carbamimidoyl-2-[[(1-pyridin-4-ylpiperidin-4-yl)amino]methyl]benzimidazol-1-yl]-N-cyclohexyl-ethanamide; ethanedioic acid

Systemtic Name: 2-[5-carbamimidoyl-2-[[(1-pyridin-4-ylpiperidin-4-yl)amino]methyl]benzimidazol-1-yl]-N-cyclohexyl-ethanamide; ethanedioic acid Openeye Name: 2-[5-carbamimidoyl-2-[[[1-(4-pyridyl)-4-piperidyl]amino]methyl]benzimidazol-1-yl]-N-cyclohexyl-acetamide; oxalic acid CAS Name: 2-[5-carbamimidoyl-2-[[(1-pyridin-4-yl-4-piperidinyl)amino]methyl]-1-benzimidazolyl]-N-cyclohexylacetamide; oxalic acid IUPAC Name: 2-[5-carbamimidoyl-2-[[(1-pyridin-4-ylpiperidin-4-yl)amino]methyl]benzimidazol-1-yl]-N-cyclohexylacetamide; oxalic acid Traditional Name: 2-[5-amidino-2-[[[1-(4-pyridyl)-4-piperidyl]amino]methyl]benzimidazol-1-yl]-N-cyclohexyl-acetamide; oxalic acid Formula: C29H38N8O5 MolecularWeight: 578.66262

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)CN2C3=C(C=C(C=C3)C(=N)N)N=C2CNC4CCN(CC4)C5=CC=NC=C5.C(=O)(C(=O)O)O

Isomeric SMILES

C1CCC(CC1)NC(=O)CN2C3=C(C=C(C=C3)C(=N)N)N=C2CNC4CCN(CC4)C5=CC=NC=C5.C(=O)(C(=O)O)O

InChI

InChI=1S/C27H36N8O.C2H2O4/c28-27(29)19-6-7-24-23(16-19)33-25(35(24)18-26(36)32-21-4-2-1-3-5-21)17-31-20-10-14-34(15-11-20)22-8-12-30-13-9-22;3-1(4)2(5)6/h6-9,12-13,16,20-21,31H,1-5,10-11,14-15,17-18H2,(H3,28,29)(H,32,36);(H,3,4)(H,5,6)