N-[2-oxidanyl-4-[6-(pyridin-2-ylcarbamoyl)-1H-benzimidazol-2-yl]phenyl]adamantan-2-amine oxide

Systemtic Name: N-[2-oxidanyl-4-[6-(pyridin-2-ylcarbamoyl)-1H-benzimidazol-2-yl]phenyl]adamantan-2-amine oxide Openeye Name: N-[2-hydroxy-4-[6-(2-pyridylcarbamoyl)-1H-benzimidazol-2-yl]phenyl]adamantan-2-amine oxide CAS Name: N-[2-hydroxy-4-[6-[oxo-(2-pyridinylamino)methyl]-1H-benzimidazol-2-yl]phenyl]-2-adamantanamine oxide IUPAC Name: N-[2-hydroxy-4-[6-(pyridin-2-ylcarbamoyl)-1H-benzimidazol-2-yl]phenyl]adamantan-2-amine oxide Traditional Name: N-[2-hydroxy-4-[6-(2-pyridylcarbamoyl)-1H-benzimidazol-2-yl]phenyl]adamantan-2-amine oxide Formula: C29H29N5O3 MolecularWeight: 495.57226

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3[NH+](C4=C(C=C(C=C4)C5=NC6=C(N5)C=C(C=C6)C(=O)NC7=CC=CC=N7)O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)C3[NH+](C4=C(C=C(C=C4)C5=NC6=C(N5)C=C(C=C6)C(=O)NC7=CC=CC=N7)O)[O-]

InChI

InChI=1S/C29H29N5O3/c35-25-15-18(5-7-24(25)34(37)27-20-10-16-9-17(12-20)13-21(27)11-16)28-31-22-6-4-19(14-23(22)32-28)29(36)33-26-3-1-2-8-30-26/h1-8,14-17,20-21,27,34-35H,9-13H2,(H,31,32)(H,30,33,36)