(E)-N-[(3-aminophenyl)methyl]-3-(6-bromanylpyridin-2-yl)-2-cyano-prop-2-enamide

Systemtic Name: (E)-N-[(3-aminophenyl)methyl]-3-(6-bromanylpyridin-2-yl)-2-cyano-prop-2-enamide Openeye Name: (E)-N-[(3-aminophenyl)methyl]-3-(6-bromo-2-pyridyl)-2-cyano-prop-2-enamide CAS Name: (E)-N-[(3-aminophenyl)methyl]-3-(6-bromo-2-pyridinyl)-2-cyano-2-propenamide IUPAC Name: (E)-N-[(3-aminophenyl)methyl]-3-(6-bromopyridin-2-yl)-2-cyanoprop-2-enamide Traditional Name: (E)-N-(3-aminobenzyl)-3-(6-bromo-2-pyridyl)-2-cyano-acrylamide Formula: C16H13BrN4O MolecularWeight: 357.20462

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)N)CNC(=O)C(=CC2=NC(=CC=C2)Br)C#N

Isomeric SMILES

C1=CC(=CC(=C1)N)CNC(=O)/C(=C/C2=NC(=CC=C2)Br)/C#N

InChI

InChI=1S/C16H13BrN4O/c17-15-6-2-5-14(21-15)8-12(9-18)16(22)20-10-11-3-1-4-13(19)7-11/h1-8H,10,19H2,(H,20,22)/b12-8+