N-[3-(2-morpholin-4-ylethylcarbamoyl)-4-pyrrolidin-1-yl-phenyl]adamantane-1-carboxamide

Systemtic Name: N-[3-(2-morpholin-4-ylethylcarbamoyl)-4-pyrrolidin-1-yl-phenyl]adamantane-1-carboxamide Openeye Name: N-[3-(2-morpholinoethylcarbamoyl)-4-pyrrolidin-1-yl-phenyl]adamantane-1-carboxamide CAS Name: N-[3-[[2-(4-morpholinyl)ethylamino]-oxomethyl]-4-(1-pyrrolidinyl)phenyl]-1-adamantanecarboxamide IUPAC Name: N-[3-(2-morpholin-4-ylethylcarbamoyl)-4-pyrrolidin-1-ylphenyl]adamantane-1-carboxamide Traditional Name: N-[3-(2-morpholinoethylcarbamoyl)-4-pyrrolidino-phenyl]adamantane-1-carboxamide Formula: C28H40N4O3 MolecularWeight: 480.6422

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)NC(=O)C34CC5CC(C3)CC(C5)C4)C(=O)NCCN6CCOCC6

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)NC(=O)C34CC5CC(C3)CC(C5)C4)C(=O)NCCN6CCOCC6

InChI

InChI=1S/C28H40N4O3/c33-26(29-5-8-31-9-11-35-12-10-31)24-16-23(3-4-25(24)32-6-1-2-7-32)30-27(34)28-17-20-13-21(18-28)15-22(14-20)19-28/h3-4,16,20-22H,1-2,5-15,17-19H2,(H,29,33)(H,30,34)