N-[(2S)-3-methyl-1-oxidanylidene-1-(pyridin-2-ylamino)butan-2-yl]adamantane-1-carboxamide

Systemtic Name: N-[(2S)-3-methyl-1-oxidanylidene-1-(pyridin-2-ylamino)butan-2-yl]adamantane-1-carboxamide Openeye Name: N-[(1S)-2-methyl-1-(2-pyridylcarbamoyl)propyl]adamantane-1-carboxamide CAS Name: N-[(2S)-3-methyl-1-oxo-1-(2-pyridinylamino)butan-2-yl]-1-adamantanecarboxamide IUPAC Name: N-[(2S)-3-methyl-1-oxo-1-(pyridin-2-ylamino)butan-2-yl]adamantane-1-carboxamide Traditional Name: N-[(1S)-2-methyl-1-(2-pyridylcarbamoyl)propyl]adamantane-1-carboxamide Formula: C21H29N3O2 MolecularWeight: 355.47386

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1=CC=CC=N1)NC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC(C)[C@@H](C(=O)NC1=CC=CC=N1)NC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C21H29N3O2/c1-13(2)18(19(25)23-17-5-3-4-6-22-17)24-20(26)21-10-14-7-15(11-21)9-16(8-14)12-21/h3-6,13-16,18H,7-12H2,1-2H3,(H,24,26)(H,22,23,25)/t14?,15?,16?,18-,21?/m0/s1