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

Systemtic Name: N-[(2S)-1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl]adamantane-1-carboxamide Openeye Name: N-[(1S)-2-(3-cyanoanilino)-1-methyl-2-oxo-ethyl]adamantane-1-carboxamide CAS Name: N-[(2S)-1-(3-cyanoanilino)-1-oxopropan-2-yl]-1-adamantanecarboxamide IUPAC Name: N-[(2S)-1-(3-cyanoanilino)-1-oxopropan-2-yl]adamantane-1-carboxamide Traditional Name: N-[(1S)-2-(3-cyanoanilino)-2-keto-1-methyl-ethyl]adamantane-1-carboxamide Formula: C21H25N3O2 MolecularWeight: 351.4421

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O2/c1-13(19(25)24-18-4-2-3-14(8-18)12-22)23-20(26)21-9-15-5-16(10-21)7-17(6-15)11-21/h2-4,8,13,15-17H,5-7,9-11H2,1H3,(H,23,26)(H,24,25)/t13-,15?,16?,17?,21?/m0/s1