4-[(E)-2-pyridin-3-ylethenyl]-1,3-dihydro-1,5-benzodiazepin-2-one

Systemtic Name: 4-[(E)-2-pyridin-3-ylethenyl]-1,3-dihydro-1,5-benzodiazepin-2-one Openeye Name: 4-[(E)-2-(3-pyridyl)vinyl]-1,3-dihydro-1,5-benzodiazepin-2-one CAS Name: 4-[(E)-2-(3-pyridinyl)ethenyl]-1,3-dihydro-1,5-benzodiazepin-2-one IUPAC Name: 4-[(E)-2-pyridin-3-ylethenyl]-1,3-dihydro-1,5-benzodiazepin-2-one Traditional Name: 4-[(E)-2-(3-pyridyl)vinyl]-1,3-dihydro-1,5-benzodiazepin-2-one Formula: C16H13N3O MolecularWeight: 263.29392

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(=NC2=CC=CC=C2NC1=O)C=CC3=CN=CC=C3

Isomeric SMILES

C1C(=NC2=CC=CC=C2NC1=O)/C=C/C3=CN=CC=C3

InChI

InChI=1S/C16H13N3O/c20-16-10-13(8-7-12-4-3-9-17-11-12)18-14-5-1-2-6-15(14)19-16/h1-9,11H,10H2,(H,19,20)/b8-7+