N-[(2S)-3-methyl-1-[(6-methylpyridin-2-yl)amino]-1-oxidanylidene-butan-2-yl]adamantane-1-carboxamide

Systemtic Name: N-[(2S)-3-methyl-1-[(6-methylpyridin-2-yl)amino]-1-oxidanylidene-butan-2-yl]adamantane-1-carboxamide Openeye Name: N-[(1S)-2-methyl-1-[(6-methyl-2-pyridyl)carbamoyl]propyl]adamantane-1-carboxamide CAS Name: N-[(2S)-3-methyl-1-[(6-methyl-2-pyridinyl)amino]-1-oxobutan-2-yl]-1-adamantanecarboxamide IUPAC Name: N-[(2S)-3-methyl-1-[(6-methylpyridin-2-yl)amino]-1-oxobutan-2-yl]adamantane-1-carboxamide Traditional Name: N-[(1S)-2-methyl-1-[(6-methyl-2-pyridyl)carbamoyl]propyl]adamantane-1-carboxamide Formula: C22H31N3O2 MolecularWeight: 369.50044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)NC(=O)C(C(C)C)NC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC1=NC(=CC=C1)NC(=O)[C@H](C(C)C)NC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C22H31N3O2/c1-13(2)19(20(26)24-18-6-4-5-14(3)23-18)25-21(27)22-10-15-7-16(11-22)9-17(8-15)12-22/h4-6,13,15-17,19H,7-12H2,1-3H3,(H,25,27)(H,23,24,26)/t15?,16?,17?,19-,22?/m0/s1