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

Systemtic Name: N-[3-methyl-1-[[4-(2-morpholin-4-ylethanoylamino)phenyl]amino]-1-oxidanylidene-butan-2-yl]adamantane-1-carboxamide Openeye Name: N-[2-methyl-1-[[4-[(2-morpholinoacetyl)amino]phenyl]carbamoyl]propyl]adamantane-1-carboxamide CAS Name: N-[3-methyl-1-[4-[[2-(4-morpholinyl)-1-oxoethyl]amino]anilino]-1-oxobutan-2-yl]-1-adamantanecarboxamide IUPAC Name: N-[3-methyl-1-[4-[(2-morpholin-4-ylacetyl)amino]anilino]-1-oxobutan-2-yl]adamantane-1-carboxamide Traditional Name: N-[2-methyl-1-[[4-[(2-morpholinoacetyl)amino]phenyl]carbamoyl]propyl]adamantane-1-carboxamide Formula: C28H40N4O4 MolecularWeight: 496.6416

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1=CC=C(C=C1)NC(=O)CN2CCOCC2)NC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC(C)C(C(=O)NC1=CC=C(C=C1)NC(=O)CN2CCOCC2)NC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C28H40N4O4/c1-18(2)25(31-27(35)28-14-19-11-20(15-28)13-21(12-19)16-28)26(34)30-23-5-3-22(4-6-23)29-24(33)17-32-7-9-36-10-8-32/h3-6,18-21,25H,7-17H2,1-2H3,(H,29,33)(H,30,34)(H,31,35)