N-[(2S)-1-[[4-(cyanomethyl)phenyl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]-2-methyl-benzamide

Systemtic Name: N-[(2S)-1-[[4-(cyanomethyl)phenyl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]-2-methyl-benzamide Openeye Name: N-[(1S)-1-[[4-(cyanomethyl)phenyl]carbamoyl]-2-methyl-propyl]-2-methyl-benzamide CAS Name: N-[(2S)-1-[4-(cyanomethyl)anilino]-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide IUPAC Name: N-[(2S)-1-[4-(cyanomethyl)anilino]-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide Traditional Name: N-[(1S)-1-[[4-(cyanomethyl)phenyl]carbamoyl]-2-methyl-propyl]-2-methyl-benzamide Formula: C21H23N3O2 MolecularWeight: 349.42622

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC(C(C)C)C(=O)NC2=CC=C(C=C2)CC#N

Isomeric SMILES

CC1=CC=CC=C1C(=O)N[C@@H](C(C)C)C(=O)NC2=CC=C(C=C2)CC#N

InChI

InChI=1S/C21H23N3O2/c1-14(2)19(24-20(25)18-7-5-4-6-15(18)3)21(26)23-17-10-8-16(9-11-17)12-13-22/h4-11,14,19H,12H2,1-3H3,(H,23,26)(H,24,25)/t19-/m0/s1