3-(benzotriazol-1-yl)-N-[(E)-1-phenylethylideneamino]propanamide

Systemtic Name: 3-(benzotriazol-1-yl)-N-[(E)-1-phenylethylideneamino]propanamide Openeye Name: 3-(benzotriazol-1-yl)-N-[(E)-1-phenylethylideneamino]propanamide CAS Name: 3-(1-benzotriazolyl)-N-[(E)-1-phenylethylideneamino]propanamide IUPAC Name: 3-(benzotriazol-1-yl)-N-[(E)-1-phenylethylideneamino]propanamide Traditional Name: 3-(benzotriazol-1-yl)-N-[(E)-1-phenylethylideneamino]propionamide Formula: C17H17N5O MolecularWeight: 307.34978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)CCN1C2=CC=CC=C2N=N1)C3=CC=CC=C3

Isomeric SMILES

C/C(=N\NC(=O)CCN1C2=CC=CC=C2N=N1)/C3=CC=CC=C3

InChI

InChI=1S/C17H17N5O/c1-13(14-7-3-2-4-8-14)18-20-17(23)11-12-22-16-10-6-5-9-15(16)19-21-22/h2-10H,11-12H2,1H3,(H,20,23)/b18-13+