4-chloranyl-N-[(2S)-1-(cyanomethylamino)-3-(3-methylphenyl)-1-oxidanylidene-propan-2-yl]-2-fluoranyl-benzamide

Systemtic Name: 4-chloranyl-N-[(2S)-1-(cyanomethylamino)-3-(3-methylphenyl)-1-oxidanylidene-propan-2-yl]-2-fluoranyl-benzamide Openeye Name: 4-chloro-N-[(1S)-2-(cyanomethylamino)-1-(m-tolylmethyl)-2-oxo-ethyl]-2-fluoro-benzamide CAS Name: 4-chloro-N-[(2S)-1-(cyanomethylamino)-3-(3-methylphenyl)-1-oxopropan-2-yl]-2-fluorobenzamide IUPAC Name: 4-chloro-N-[(2S)-1-(cyanomethylamino)-3-(3-methylphenyl)-1-oxopropan-2-yl]-2-fluorobenzamide Traditional Name: 4-chloro-N-[(1S)-2-(cyanomethylamino)-2-keto-1-(3-methylbenzyl)ethyl]-2-fluoro-benzamide Formula: C19H17ClFN3O2 MolecularWeight: 373.808583

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CC(C(=O)NCC#N)NC(=O)C2=C(C=C(C=C2)Cl)F

Isomeric SMILES

CC1=CC(=CC=C1)C[C@@H](C(=O)NCC#N)NC(=O)C2=C(C=C(C=C2)Cl)F

InChI

InChI=1S/C19H17ClFN3O2/c1-12-3-2-4-13(9-12)10-17(19(26)23-8-7-22)24-18(25)15-6-5-14(20)11-16(15)21/h2-6,9,11,17H,8,10H2,1H3,(H,23,26)(H,24,25)/t17-/m0/s1