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

Systemtic Name: N-[(2S,3S)-1-[[4-(cyanomethyl)phenyl]amino]-3-methyl-1-oxidanylidene-pentan-2-yl]benzamide Openeye Name: N-[(1S,2S)-1-[[4-(cyanomethyl)phenyl]carbamoyl]-2-methyl-butyl]benzamide CAS Name: N-[(2S,3S)-1-[4-(cyanomethyl)anilino]-3-methyl-1-oxopentan-2-yl]benzamide IUPAC Name: N-[(2S,3S)-1-[4-(cyanomethyl)anilino]-3-methyl-1-oxopentan-2-yl]benzamide Traditional Name: N-[(1S,2S)-1-[[4-(cyanomethyl)phenyl]carbamoyl]-2-methyl-butyl]benzamide Formula: C21H23N3O2 MolecularWeight: 349.42622

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O2/c1-3-15(2)19(24-20(25)17-7-5-4-6-8-17)21(26)23-18-11-9-16(10-12-18)13-14-22/h4-12,15,19H,3,13H2,1-2H3,(H,23,26)(H,24,25)/t15-,19-/m0/s1