4-(2-cyanoethanoylamino)-N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]benzamide

Systemtic Name: 4-(2-cyanoethanoylamino)-N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]benzamide Openeye Name: 4-[(2-cyanoacetyl)amino]-N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]benzamide CAS Name: 4-[(2-cyano-1-oxoethyl)amino]-N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]benzamide IUPAC Name: 4-[(2-cyanoacetyl)amino]-N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]benzamide Traditional Name: 4-[(2-cyanoacetyl)amino]-N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]benzamide Formula: C18H23N3O2 MolecularWeight: 313.39412

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1C)NC(=O)C2=CC=C(C=C2)NC(=O)CC#N

Isomeric SMILES

C[C@H]1CCC[C@@H]([C@@H]1C)NC(=O)C2=CC=C(C=C2)NC(=O)CC#N

InChI

InChI=1S/C18H23N3O2/c1-12-4-3-5-16(13(12)2)21-18(23)14-6-8-15(9-7-14)20-17(22)10-11-19/h6-9,12-13,16H,3-5,10H2,1-2H3,(H,20,22)(H,21,23)/t12-,13+,16-/m0/s1