(E)-1-(4-bromophenyl)-3-(pyridin-3-ylmethylamino)but-2-en-1-one

Systemtic Name: (E)-1-(4-bromophenyl)-3-(pyridin-3-ylmethylamino)but-2-en-1-one Openeye Name: (E)-1-(4-bromophenyl)-3-(3-pyridylmethylamino)but-2-en-1-one CAS Name: (E)-1-(4-bromophenyl)-3-(3-pyridinylmethylamino)-2-buten-1-one IUPAC Name: (E)-1-(4-bromophenyl)-3-(pyridin-3-ylmethylamino)but-2-en-1-one Traditional Name: (E)-1-(4-bromophenyl)-3-(3-pyridylmethylamino)but-2-en-1-one Formula: C16H15BrN2O MolecularWeight: 331.2071

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)C1=CC=C(C=C1)Br)NCC2=CN=CC=C2

Isomeric SMILES

C/C(=C\C(=O)C1=CC=C(C=C1)Br)/NCC2=CN=CC=C2

InChI

InChI=1S/C16H15BrN2O/c1-12(19-11-13-3-2-8-18-10-13)9-16(20)14-4-6-15(17)7-5-14/h2-10,19H,11H2,1H3/b12-9+