N-[(2S)-1-oxidanylidene-1-(1H-1,2,4-triazol-5-ylamino)propan-2-yl]adamantane-1-carboxamide

Systemtic Name: N-[(2S)-1-oxidanylidene-1-(1H-1,2,4-triazol-5-ylamino)propan-2-yl]adamantane-1-carboxamide Openeye Name: N-[(1S)-1-methyl-2-oxo-2-(1H-1,2,4-triazol-5-ylamino)ethyl]adamantane-1-carboxamide CAS Name: N-[(2S)-1-oxo-1-(1H-1,2,4-triazol-5-ylamino)propan-2-yl]-1-adamantanecarboxamide IUPAC Name: N-[(2S)-1-oxo-1-(1H-1,2,4-triazol-5-ylamino)propan-2-yl]adamantane-1-carboxamide Traditional Name: N-[(1S)-2-keto-1-methyl-2-(1H-1,2,4-triazol-5-ylamino)ethyl]adamantane-1-carboxamide Formula: C16H23N5O2 MolecularWeight: 317.38612

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=NC=NN1)NC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

C[C@@H](C(=O)NC1=NC=NN1)NC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C16H23N5O2/c1-9(13(22)20-15-17-8-18-21-15)19-14(23)16-5-10-2-11(6-16)4-12(3-10)7-16/h8-12H,2-7H2,1H3,(H,19,23)(H2,17,18,20,21,22)/t9-,10?,11?,12?,16?/m0/s1