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

Systemtic Name: N-[(2S)-1-[[4-(cyanomethyl)phenyl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]-4-fluoranyl-benzamide Openeye Name: N-[(1S)-1-[[4-(cyanomethyl)phenyl]carbamoyl]-2-methyl-propyl]-4-fluoro-benzamide CAS Name: N-[(2S)-1-[4-(cyanomethyl)anilino]-3-methyl-1-oxobutan-2-yl]-4-fluorobenzamide IUPAC Name: N-[(2S)-1-[4-(cyanomethyl)anilino]-3-methyl-1-oxobutan-2-yl]-4-fluorobenzamide Traditional Name: N-[(1S)-1-[[4-(cyanomethyl)phenyl]carbamoyl]-2-methyl-propyl]-4-fluoro-benzamide Formula: C20H20FN3O2 MolecularWeight: 353.390103

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1=CC=C(C=C1)CC#N)NC(=O)C2=CC=C(C=C2)F

Isomeric SMILES

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

InChI

InChI=1S/C20H20FN3O2/c1-13(2)18(24-19(25)15-5-7-16(21)8-6-15)20(26)23-17-9-3-14(4-10-17)11-12-22/h3-10,13,18H,11H2,1-2H3,(H,23,26)(H,24,25)/t18-/m0/s1