N-[2-[2-(1-adamantylcarbonylamino)phenyl]-3H-benzimidazol-5-yl]adamantane-1-carboxamide

Systemtic Name: N-[2-[2-(1-adamantylcarbonylamino)phenyl]-3H-benzimidazol-5-yl]adamantane-1-carboxamide Openeye Name: N-[2-[2-(adamantane-1-carbonylamino)phenyl]-3H-benzimidazol-5-yl]adamantane-1-carboxamide CAS Name: N-[2-[2-[[1-adamantyl(oxo)methyl]amino]phenyl]-3H-benzimidazol-5-yl]-1-adamantanecarboxamide IUPAC Name: N-[2-[2-(adamantane-1-carbonylamino)phenyl]-3H-benzimidazol-5-yl]adamantane-1-carboxamide Traditional Name: N-[2-[2-(adamantane-1-carbonylamino)phenyl]-3H-benzimidazol-5-yl]adamantane-1-carboxamide Formula: C35H40N4O2 MolecularWeight: 548.7177

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)NC4=CC5=C(C=C4)N=C(N5)C6=CC=CC=C6NC(=O)C78CC9CC(C7)CC(C9)C8

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)NC4=CC5=C(C=C4)N=C(N5)C6=CC=CC=C6NC(=O)C78CC9CC(C7)CC(C9)C8

InChI

InChI=1S/C35H40N4O2/c40-32(34-14-20-7-21(15-34)9-22(8-20)16-34)36-26-5-6-29-30(13-26)38-31(37-29)27-3-1-2-4-28(27)39-33(41)35-17-23-10-24(18-35)12-25(11-23)19-35/h1-6,13,20-25H,7-12,14-19H2,(H,36,40)(H,37,38)(H,39,41)