N-[2-(1-adamantylcarbonylamino)-6,12-diphenyl-benzo[c][1,5]benzodiazocin-8-yl]adamantane-1-carboxamide

Systemtic Name: N-[2-(1-adamantylcarbonylamino)-6,12-diphenyl-benzo[c][1,5]benzodiazocin-8-yl]adamantane-1-carboxamide Openeye Name: N-[2-(adamantane-1-carbonylamino)-6,12-diphenyl-benzo[c][1,5]benzodiazocin-8-yl]adamantane-1-carboxamide CAS Name: N-[2-[[1-adamantyl(oxo)methyl]amino]-6,12-diphenyl-8-benzo[c][1,5]benzodiazocinyl]-1-adamantanecarboxamide IUPAC Name: N-[2-(adamantane-1-carbonylamino)-6,12-diphenylbenzo[c][1,5]benzodiazocin-8-yl]adamantane-1-carboxamide Traditional Name: N-[2-(adamantane-1-carbonylamino)-6,12-diphenyl-benzo[c][1,5]benzodiazocin-8-yl]adamantane-1-carboxamide Formula: C48H48N4O2 MolecularWeight: 712.92032

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)NC4=CC5=C(C=C4)N=C(C6=C(C=CC(=C6)NC(=O)C78CC9CC(C7)CC(C9)C8)N=C5C1=CC=CC=C1)C1=CC=CC=C1

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)NC4=CC5=C(C=C4)N=C(C6=C(C=CC(=C6)NC(=O)C78CC9CC(C7)CC(C9)C8)N=C5C1=CC=CC=C1)C1=CC=CC=C1

InChI

InChI=1S/C48H48N4O2/c53-45(47-23-29-15-30(24-47)17-31(16-29)25-47)49-37-11-13-41-39(21-37)43(35-7-3-1-4-8-35)51-42-14-12-38(22-40(42)44(52-41)36-9-5-2-6-10-36)50-46(54)48-26-32-18-33(27-48)20-34(19-32)28-48/h1-14,21-22,29-34H,15-20,23-28H2,(H,49,53)(H,50,54)