(E)-3-(5-bromanyl-1H-indol-3-yl)-2-cyano-N-(pyridin-3-ylmethyl)prop-2-enamide

Systemtic Name: (E)-3-(5-bromanyl-1H-indol-3-yl)-2-cyano-N-(pyridin-3-ylmethyl)prop-2-enamide Openeye Name: (E)-3-(5-bromo-1H-indol-3-yl)-2-cyano-N-(3-pyridylmethyl)prop-2-enamide CAS Name: (E)-3-(5-bromo-1H-indol-3-yl)-2-cyano-N-(3-pyridinylmethyl)-2-propenamide IUPAC Name: (E)-3-(5-bromo-1H-indol-3-yl)-2-cyano-N-(pyridin-3-ylmethyl)prop-2-enamide Traditional Name: (E)-3-(5-bromo-1H-indol-3-yl)-2-cyano-N-(3-pyridylmethyl)acrylamide Formula: C18H13BrN4O MolecularWeight: 381.22602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CNC(=O)C(=CC2=CNC3=C2C=C(C=C3)Br)C#N

Isomeric SMILES

C1=CC(=CN=C1)CNC(=O)/C(=C/C2=CNC3=C2C=C(C=C3)Br)/C#N

InChI

InChI=1S/C18H13BrN4O/c19-15-3-4-17-16(7-15)14(11-22-17)6-13(8-20)18(24)23-10-12-2-1-5-21-9-12/h1-7,9,11,22H,10H2,(H,23,24)/b13-6+