[3-[[4-[6-(pyridin-2-ylcarbamoyl)-1H-benzimidazol-2-yl]phenyl]carbamoyl]-1-adamantyl] ethanoate

Systemtic Name: [3-[[4-[6-(pyridin-2-ylcarbamoyl)-1H-benzimidazol-2-yl]phenyl]carbamoyl]-1-adamantyl] ethanoate Openeye Name: [3-[[4-[6-(2-pyridylcarbamoyl)-1H-benzimidazol-2-yl]phenyl]carbamoyl]-1-adamantyl] acetate CAS Name: acetic acid [3-[oxo-[4-[6-[oxo-(2-pyridinylamino)methyl]-1H-benzimidazol-2-yl]anilino]methyl]-1-adamantyl] ester IUPAC Name: [3-[[4-[6-(pyridin-2-ylcarbamoyl)-1H-benzimidazol-2-yl]phenyl]carbamoyl]-1-adamantyl] acetate Traditional Name: acetic acid [3-[[4-[6-(2-pyridylcarbamoyl)-1H-benzimidazol-2-yl]phenyl]carbamoyl]-1-adamantyl] ester Formula: C32H31N5O4 MolecularWeight: 549.61964

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC12CC3CC(C1)CC(C3)(C2)C(=O)NC4=CC=C(C=C4)C5=NC6=C(N5)C=C(C=C6)C(=O)NC7=CC=CC=N7

Isomeric SMILES

CC(=O)OC12CC3CC(C1)CC(C3)(C2)C(=O)NC4=CC=C(C=C4)C5=NC6=C(N5)C=C(C=C6)C(=O)NC7=CC=CC=N7

InChI

InChI=1S/C32H31N5O4/c1-19(38)41-32-16-20-12-21(17-32)15-31(14-20,18-32)30(40)34-24-8-5-22(6-9-24)28-35-25-10-7-23(13-26(25)36-28)29(39)37-27-4-2-3-11-33-27/h2-11,13,20-21H,12,14-18H2,1H3,(H,34,40)(H,35,36)(H,33,37,39)