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

Systemtic Name: N-[(2S)-3-methyl-1-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]-1-oxidanylidene-butan-2-yl]adamantane-1-carboxamide Openeye Name: N-[(1S)-2-methyl-1-[methyl-[(2-morpholinophenyl)methyl]carbamoyl]propyl]adamantane-1-carboxamide CAS Name: N-[(2S)-3-methyl-1-[methyl-[[2-(4-morpholinyl)phenyl]methyl]amino]-1-oxobutan-2-yl]-1-adamantanecarboxamide IUPAC Name: N-[(2S)-3-methyl-1-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]-1-oxobutan-2-yl]adamantane-1-carboxamide Traditional Name: N-[(1S)-2-methyl-1-[methyl-(2-morpholinobenzyl)carbamoyl]propyl]adamantane-1-carboxamide Formula: C28H41N3O3 MolecularWeight: 467.64344

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N(C)CC1=CC=CC=C1N2CCOCC2)NC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC(C)[C@@H](C(=O)N(C)CC1=CC=CC=C1N2CCOCC2)NC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C28H41N3O3/c1-19(2)25(29-27(33)28-15-20-12-21(16-28)14-22(13-20)17-28)26(32)30(3)18-23-6-4-5-7-24(23)31-8-10-34-11-9-31/h4-7,19-22,25H,8-18H2,1-3H3,(H,29,33)/t20?,21?,22?,25-,28?/m0/s1