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

Systemtic Name: 2-chloranyl-N-[(2S)-1-[[4-(cyanomethyl)phenyl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]benzamide Openeye Name: 2-chloro-N-[(1S)-1-[[4-(cyanomethyl)phenyl]carbamoyl]-2-methyl-propyl]benzamide CAS Name: 2-chloro-N-[(2S)-1-[4-(cyanomethyl)anilino]-3-methyl-1-oxobutan-2-yl]benzamide IUPAC Name: 2-chloro-N-[(2S)-1-[4-(cyanomethyl)anilino]-3-methyl-1-oxobutan-2-yl]benzamide Traditional Name: 2-chloro-N-[(1S)-1-[[4-(cyanomethyl)phenyl]carbamoyl]-2-methyl-propyl]benzamide Formula: C20H20ClN3O2 MolecularWeight: 369.8447

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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=CC=C2Cl

Isomeric SMILES

CC(C)[C@@H](C(=O)NC1=CC=C(C=C1)CC#N)NC(=O)C2=CC=CC=C2Cl

InChI

InChI=1S/C20H20ClN3O2/c1-13(2)18(24-19(25)16-5-3-4-6-17(16)21)20(26)23-15-9-7-14(8-10-15)11-12-22/h3-10,13,18H,11H2,1-2H3,(H,23,26)(H,24,25)/t18-/m0/s1