N-[4-[[(1R)-1-(4-methylphenyl)-2-morpholin-4-yl-ethyl]amino]-4-oxidanylidene-butyl]adamantane-1-carboxamide

Systemtic Name: N-[4-[[(1R)-1-(4-methylphenyl)-2-morpholin-4-yl-ethyl]amino]-4-oxidanylidene-butyl]adamantane-1-carboxamide Openeye Name: N-[4-[[(1R)-2-morpholino-1-(p-tolyl)ethyl]amino]-4-oxo-butyl]adamantane-1-carboxamide CAS Name: N-[4-[[(1R)-1-(4-methylphenyl)-2-(4-morpholinyl)ethyl]amino]-4-oxobutyl]-1-adamantanecarboxamide IUPAC Name: N-[4-[[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]-4-oxobutyl]adamantane-1-carboxamide Traditional Name: N-[4-keto-4-[[(1R)-2-morpholino-1-(p-tolyl)ethyl]amino]butyl]adamantane-1-carboxamide Formula: C28H41N3O3 MolecularWeight: 467.64344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CN2CCOCC2)NC(=O)CCCNC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=CC=C(C=C1)[C@H](CN2CCOCC2)NC(=O)CCCNC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C28H41N3O3/c1-20-4-6-24(7-5-20)25(19-31-9-11-34-12-10-31)30-26(32)3-2-8-29-27(33)28-16-21-13-22(17-28)15-23(14-21)18-28/h4-7,21-23,25H,2-3,8-19H2,1H3,(H,29,33)(H,30,32)/t21?,22?,23?,25-,28?/m0/s1