N-[1-[[2-(4-fluorophenyl)-2-morpholin-4-yl-ethyl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]adamantane-1-carboxamide

Systemtic Name: N-[1-[[2-(4-fluorophenyl)-2-morpholin-4-yl-ethyl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]adamantane-1-carboxamide Openeye Name: N-[1-[[2-(4-fluorophenyl)-2-morpholino-ethyl]carbamoyl]-2-methyl-propyl]adamantane-1-carboxamide CAS Name: N-[1-[[2-(4-fluorophenyl)-2-(4-morpholinyl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]-1-adamantanecarboxamide IUPAC Name: N-[1-[[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]-3-methyl-1-oxobutan-2-yl]adamantane-1-carboxamide Traditional Name: N-[1-[[2-(4-fluorophenyl)-2-morpholino-ethyl]carbamoyl]-2-methyl-propyl]adamantane-1-carboxamide Formula: C28H40FN3O3 MolecularWeight: 485.633903

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCC(C1=CC=C(C=C1)F)N2CCOCC2)NC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC(C)C(C(=O)NCC(C1=CC=C(C=C1)F)N2CCOCC2)NC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C28H40FN3O3/c1-18(2)25(31-27(34)28-14-19-11-20(15-28)13-21(12-19)16-28)26(33)30-17-24(32-7-9-35-10-8-32)22-3-5-23(29)6-4-22/h3-6,18-21,24-25H,7-17H2,1-2H3,(H,30,33)(H,31,34)