N-[3-(1-adamantylcarbonylamino)-5-morpholin-4-ylcarbonyl-phenyl]adamantane-1-carboxamide

Systemtic Name: N-[3-(1-adamantylcarbonylamino)-5-morpholin-4-ylcarbonyl-phenyl]adamantane-1-carboxamide Openeye Name: N-[3-(adamantane-1-carbonylamino)-5-(morpholine-4-carbonyl)phenyl]adamantane-1-carboxamide CAS Name: N-[3-[[1-adamantyl(oxo)methyl]amino]-5-[4-morpholinyl(oxo)methyl]phenyl]-1-adamantanecarboxamide IUPAC Name: N-[3-(adamantane-1-carbonylamino)-5-(morpholine-4-carbonyl)phenyl]adamantane-1-carboxamide Traditional Name: N-[3-(adamantane-1-carbonylamino)-5-(morpholine-4-carbonyl)phenyl]adamantane-1-carboxamide Formula: C33H43N3O4 MolecularWeight: 545.71222

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)C2=CC(=CC(=C2)NC(=O)C34CC5CC(C3)CC(C5)C4)NC(=O)C67CC8CC(C6)CC(C8)C7

Isomeric SMILES

C1COCCN1C(=O)C2=CC(=CC(=C2)NC(=O)C34CC5CC(C3)CC(C5)C4)NC(=O)C67CC8CC(C6)CC(C8)C7

InChI

InChI=1S/C33H43N3O4/c37-29(36-1-3-40-4-2-36)26-11-27(34-30(38)32-14-20-5-21(15-32)7-22(6-20)16-32)13-28(12-26)35-31(39)33-17-23-8-24(18-33)10-25(9-23)19-33/h11-13,20-25H,1-10,14-19H2,(H,34,38)(H,35,39)