N-[(2S)-1-azido-4-methyl-pentan-2-yl]-4-[(phenylcarbamoylamino)methyl]benzamide

Systemtic Name: N-[(2S)-1-azido-4-methyl-pentan-2-yl]-4-[(phenylcarbamoylamino)methyl]benzamide Openeye Name: N-[(1S)-1-(azidomethyl)-3-methyl-butyl]-4-[(phenylcarbamoylamino)methyl]benzamide CAS Name: 4-[[[anilino(oxo)methyl]amino]methyl]-N-[(2S)-1-azido-4-methylpentan-2-yl]benzamide IUPAC Name: N-[(2S)-1-azido-4-methylpentan-2-yl]-4-[(phenylcarbamoylamino)methyl]benzamide Traditional Name: N-[(1S)-1-(azidomethyl)-3-methyl-butyl]-4-[(phenylcarbamoylamino)methyl]benzamide Formula: C21H26N6O2 MolecularWeight: 394.47014

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CN=[N+]=[N-])NC(=O)C1=CC=C(C=C1)CNC(=O)NC2=CC=CC=C2

Isomeric SMILES

CC(C)C[C@@H](CN=[N+]=[N-])NC(=O)C1=CC=C(C=C1)CNC(=O)NC2=CC=CC=C2

InChI

InChI=1S/C21H26N6O2/c1-15(2)12-19(14-24-27-22)25-20(28)17-10-8-16(9-11-17)13-23-21(29)26-18-6-4-3-5-7-18/h3-11,15,19H,12-14H2,1-2H3,(H,25,28)(H2,23,26,29)/t19-/m0/s1