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

Systemtic Name: N-[2-[3,5-bis(1-adamantylcarbonylamino)phenyl]-3H-benzimidazol-5-yl]adamantane-1-carboxamide Openeye Name: N-[2-[3,5-bis(adamantane-1-carbonylamino)phenyl]-3H-benzimidazol-5-yl]adamantane-1-carboxamide CAS Name: N-[2-[3,5-bis[[1-adamantyl(oxo)methyl]amino]phenyl]-3H-benzimidazol-5-yl]-1-adamantanecarboxamide IUPAC Name: N-[2-[3,5-bis(adamantane-1-carbonylamino)phenyl]-3H-benzimidazol-5-yl]adamantane-1-carboxamide Traditional Name: N-[2-[3,5-bis(adamantane-1-carbonylamino)phenyl]-3H-benzimidazol-5-yl]adamantane-1-carboxamide Formula: C46H55N5O3 MolecularWeight: 725.9606

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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(=C6)NC(=O)C78CC9CC(C7)CC(C9)C8)NC(=O)C12CC3CC(C1)CC(C3)C2

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)NC4=CC5=C(C=C4)N=C(N5)C6=CC(=CC(=C6)NC(=O)C78CC9CC(C7)CC(C9)C8)NC(=O)C12CC3CC(C1)CC(C3)C2

InChI

InChI=1S/C46H55N5O3/c52-41(44-16-25-3-26(17-44)5-27(4-25)18-44)47-35-1-2-38-39(15-35)51-40(50-38)34-12-36(48-42(53)45-19-28-6-29(20-45)8-30(7-28)21-45)14-37(13-34)49-43(54)46-22-31-9-32(23-46)11-33(10-31)24-46/h1-2,12-15,25-33H,3-11,16-24H2,(H,47,52)(H,48,53)(H,49,54)(H,50,51)