N-[(2S)-1-azido-3-phenyl-propan-2-yl]-4-[(2-phenoxyethanoylamino)methyl]benzamide

Systemtic Name: N-[(2S)-1-azido-3-phenyl-propan-2-yl]-4-[(2-phenoxyethanoylamino)methyl]benzamide Openeye Name: N-[(1S)-1-(azidomethyl)-2-phenyl-ethyl]-4-[[(2-phenoxyacetyl)amino]methyl]benzamide CAS Name: N-[(2S)-1-azido-3-phenylpropan-2-yl]-4-[[(1-oxo-2-phenoxyethyl)amino]methyl]benzamide IUPAC Name: N-[(2S)-1-azido-3-phenylpropan-2-yl]-4-[[(2-phenoxyacetyl)amino]methyl]benzamide Traditional Name: N-[(1S)-1-(azidomethyl)-2-phenyl-ethyl]-4-[[(2-phenoxyacetyl)amino]methyl]benzamide Formula: C25H25N5O3 MolecularWeight: 443.4977

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(CN=[N+]=[N-])NC(=O)C2=CC=C(C=C2)CNC(=O)COC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](CN=[N+]=[N-])NC(=O)C2=CC=C(C=C2)CNC(=O)COC3=CC=CC=C3

InChI

InChI=1S/C25H25N5O3/c26-30-28-17-22(15-19-7-3-1-4-8-19)29-25(32)21-13-11-20(12-14-21)16-27-24(31)18-33-23-9-5-2-6-10-23/h1-14,22H,15-18H2,(H,27,31)(H,29,32)/t22-/m0/s1