N-[3-(1-adamantylcarbonylamino)-5-piperidin-1-ylcarbonyl-phenyl]adamantane-1-carboxamide

Systemtic Name: N-[3-(1-adamantylcarbonylamino)-5-piperidin-1-ylcarbonyl-phenyl]adamantane-1-carboxamide Openeye Name: N-[3-(adamantane-1-carbonylamino)-5-(piperidine-1-carbonyl)phenyl]adamantane-1-carboxamide CAS Name: N-[3-[[1-adamantyl(oxo)methyl]amino]-5-[oxo(1-piperidinyl)methyl]phenyl]-1-adamantanecarboxamide IUPAC Name: N-[3-(adamantane-1-carbonylamino)-5-(piperidine-1-carbonyl)phenyl]adamantane-1-carboxamide Traditional Name: N-[3-(adamantane-1-carbonylamino)-5-(piperidine-1-carbonyl)phenyl]adamantane-1-carboxamide Formula: C34H45N3O3 MolecularWeight: 543.7394

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C2=CC(=CC(=C2)NC(=O)C34CC5CC(C3)CC(C5)C4)NC(=O)C67CC8CC(C6)CC(C8)C7

Isomeric SMILES

C1CCN(CC1)C(=O)C2=CC(=CC(=C2)NC(=O)C34CC5CC(C3)CC(C5)C4)NC(=O)C67CC8CC(C6)CC(C8)C7

InChI

InChI=1S/C34H45N3O3/c38-30(37-4-2-1-3-5-37)27-12-28(35-31(39)33-15-21-6-22(16-33)8-23(7-21)17-33)14-29(13-27)36-32(40)34-18-24-9-25(19-34)11-26(10-24)20-34/h12-14,21-26H,1-11,15-20H2,(H,35,39)(H,36,40)