N-[(2S)-1-[[6-(dimethylamino)pyridin-3-yl]amino]-1-oxidanylidene-propan-2-yl]adamantane-1-carboxamide

Systemtic Name: N-[(2S)-1-[[6-(dimethylamino)pyridin-3-yl]amino]-1-oxidanylidene-propan-2-yl]adamantane-1-carboxamide Openeye Name: N-[(1S)-2-[[6-(dimethylamino)-3-pyridyl]amino]-1-methyl-2-oxo-ethyl]adamantane-1-carboxamide CAS Name: N-[(2S)-1-[[6-(dimethylamino)-3-pyridinyl]amino]-1-oxopropan-2-yl]-1-adamantanecarboxamide IUPAC Name: N-[(2S)-1-[[6-(dimethylamino)pyridin-3-yl]amino]-1-oxopropan-2-yl]adamantane-1-carboxamide Traditional Name: N-[(1S)-2-[[6-(dimethylamino)-3-pyridyl]amino]-2-keto-1-methyl-ethyl]adamantane-1-carboxamide Formula: C21H30N4O2 MolecularWeight: 370.4885

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CN=C(C=C1)N(C)C)NC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

C[C@@H](C(=O)NC1=CN=C(C=C1)N(C)C)NC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C21H30N4O2/c1-13(19(26)24-17-4-5-18(22-12-17)25(2)3)23-20(27)21-9-14-6-15(10-21)8-16(7-14)11-21/h4-5,12-16H,6-11H2,1-3H3,(H,23,27)(H,24,26)/t13-,14?,15?,16?,21?/m0/s1