(E)-N-[(1S)-1-(4-aminophenyl)ethyl]-3-(6-bromanylpyridin-2-yl)-2-cyano-prop-2-enamide

Systemtic Name: (E)-N-[(1S)-1-(4-aminophenyl)ethyl]-3-(6-bromanylpyridin-2-yl)-2-cyano-prop-2-enamide Openeye Name: (E)-N-[(1S)-1-(4-aminophenyl)ethyl]-3-(6-bromo-2-pyridyl)-2-cyano-prop-2-enamide CAS Name: (E)-N-[(1S)-1-(4-aminophenyl)ethyl]-3-(6-bromo-2-pyridinyl)-2-cyano-2-propenamide IUPAC Name: (E)-N-[(1S)-1-(4-aminophenyl)ethyl]-3-(6-bromopyridin-2-yl)-2-cyanoprop-2-enamide Traditional Name: (E)-N-[(1S)-1-(4-aminophenyl)ethyl]-3-(6-bromo-2-pyridyl)-2-cyano-acrylamide Formula: C17H15BrN4O MolecularWeight: 371.2312

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@@H](C1=CC=C(C=C1)N)NC(=O)/C(=C/C2=NC(=CC=C2)Br)/C#N

InChI

InChI=1S/C17H15BrN4O/c1-11(12-5-7-14(20)8-6-12)21-17(23)13(10-19)9-15-3-2-4-16(18)22-15/h2-9,11H,20H2,1H3,(H,21,23)/b13-9+/t11-/m0/s1