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

Systemtic Name: 4-chloranyl-N-[(2S)-1-(cyanomethylamino)-3-(3-methylphenyl)-1-oxidanylidene-propan-2-yl]benzamide Openeye Name: 4-chloro-N-[(1S)-2-(cyanomethylamino)-1-(m-tolylmethyl)-2-oxo-ethyl]benzamide CAS Name: 4-chloro-N-[(2S)-1-(cyanomethylamino)-3-(3-methylphenyl)-1-oxopropan-2-yl]benzamide IUPAC Name: 4-chloro-N-[(2S)-1-(cyanomethylamino)-3-(3-methylphenyl)-1-oxopropan-2-yl]benzamide Traditional Name: 4-chloro-N-[(1S)-2-(cyanomethylamino)-2-keto-1-(3-methylbenzyl)ethyl]benzamide Formula: C19H18ClN3O2 MolecularWeight: 355.81812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18ClN3O2/c1-13-3-2-4-14(11-13)12-17(19(25)22-10-9-21)23-18(24)15-5-7-16(20)8-6-15/h2-8,11,17H,10,12H2,1H3,(H,22,25)(H,23,24)/t17-/m0/s1