3-(benzotriazol-1-yl)-N-[(E)-1-pyridin-4-ylethylideneamino]propanamide

Systemtic Name: 3-(benzotriazol-1-yl)-N-[(E)-1-pyridin-4-ylethylideneamino]propanamide Openeye Name: 3-(benzotriazol-1-yl)-N-[(E)-1-(4-pyridyl)ethylideneamino]propanamide CAS Name: 3-(1-benzotriazolyl)-N-[(E)-1-pyridin-4-ylethylideneamino]propanamide IUPAC Name: 3-(benzotriazol-1-yl)-N-[(E)-1-pyridin-4-ylethylideneamino]propanamide Traditional Name: 3-(benzotriazol-1-yl)-N-[(E)-1-(4-pyridyl)ethylideneamino]propionamide Formula: C16H16N6O MolecularWeight: 308.33784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N6O/c1-12(13-6-9-17-10-7-13)18-20-16(23)8-11-22-15-5-3-2-4-14(15)19-21-22/h2-7,9-10H,8,11H2,1H3,(H,20,23)/b18-12+