N-[(2S)-3-methyl-1-[[4-(morpholin-4-ylmethyl)phenyl]methylamino]-1-oxidanylidene-butan-2-yl]adamantane-1-carboxamide

Systemtic Name: N-[(2S)-3-methyl-1-[[4-(morpholin-4-ylmethyl)phenyl]methylamino]-1-oxidanylidene-butan-2-yl]adamantane-1-carboxamide Openeye Name: N-[(1S)-2-methyl-1-[[4-(morpholinomethyl)phenyl]methylcarbamoyl]propyl]adamantane-1-carboxamide CAS Name: N-[(2S)-3-methyl-1-[[4-(4-morpholinylmethyl)phenyl]methylamino]-1-oxobutan-2-yl]-1-adamantanecarboxamide IUPAC Name: N-[(2S)-3-methyl-1-[[4-(morpholin-4-ylmethyl)phenyl]methylamino]-1-oxobutan-2-yl]adamantane-1-carboxamide Traditional Name: N-[(1S)-2-methyl-1-[[4-(morpholinomethyl)benzyl]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)NCC1=CC=C(C=C1)CN2CCOCC2)NC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC(C)[C@@H](C(=O)NCC1=CC=C(C=C1)CN2CCOCC2)NC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C28H41N3O3/c1-19(2)25(30-27(33)28-14-22-11-23(15-28)13-24(12-22)16-28)26(32)29-17-20-3-5-21(6-4-20)18-31-7-9-34-10-8-31/h3-6,19,22-25H,7-18H2,1-2H3,(H,29,32)(H,30,33)/t22?,23?,24?,25-,28?/m0/s1