N-cyclohexyl-2-[5-isocyano-2-[[(1-pyridin-4-ylpiperidin-4-yl)amino]methyl]benzimidazol-1-yl]ethanamide

Systemtic Name: N-cyclohexyl-2-[5-isocyano-2-[[(1-pyridin-4-ylpiperidin-4-yl)amino]methyl]benzimidazol-1-yl]ethanamide Openeye Name: N-cyclohexyl-2-[5-isocyano-2-[[[1-(4-pyridyl)-4-piperidyl]amino]methyl]benzimidazol-1-yl]acetamide CAS Name: N-cyclohexyl-2-[5-isocyano-2-[[(1-pyridin-4-yl-4-piperidinyl)amino]methyl]-1-benzimidazolyl]acetamide IUPAC Name: N-cyclohexyl-2-[5-isocyano-2-[[(1-pyridin-4-ylpiperidin-4-yl)amino]methyl]benzimidazol-1-yl]acetamide Traditional Name: N-cyclohexyl-2-[5-isocyano-2-[[[1-(4-pyridyl)-4-piperidyl]amino]methyl]benzimidazol-1-yl]acetamide Formula: C27H33N7O MolecularWeight: 471.59722

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Descriptors Computed from Structure

Canonical SMILES:

[C-]#[N+]C1=CC2=C(C=C1)N(C(=N2)CNC3CCN(CC3)C4=CC=NC=C4)CC(=O)NC5CCCCC5

Isomeric SMILES

[C-]#[N+]C1=CC2=C(C=C1)N(C(=N2)CNC3CCN(CC3)C4=CC=NC=C4)CC(=O)NC5CCCCC5

InChI

InChI=1S/C27H33N7O/c1-28-22-7-8-25-24(17-22)32-26(34(25)19-27(35)31-21-5-3-2-4-6-21)18-30-20-11-15-33(16-12-20)23-9-13-29-14-10-23/h7-10,13-14,17,20-21,30H,2-6,11-12,15-16,18-19H2,(H,31,35)