2-bromanyl-N-[(E)-3-(3-imidazol-1-ylpropylamino)-3-oxidanylidene-1-pyridin-3-yl-prop-1-en-2-yl]benzamide

Systemtic Name: 2-bromanyl-N-[(E)-3-(3-imidazol-1-ylpropylamino)-3-oxidanylidene-1-pyridin-3-yl-prop-1-en-2-yl]benzamide Openeye Name: 2-bromo-N-[(E)-1-(3-imidazol-1-ylpropylcarbamoyl)-2-(3-pyridyl)vinyl]benzamide CAS Name: 2-bromo-N-[(E)-3-[3-(1-imidazolyl)propylamino]-3-oxo-1-(3-pyridinyl)prop-1-en-2-yl]benzamide IUPAC Name: 2-bromo-N-[(E)-3-(3-imidazol-1-ylpropylamino)-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]benzamide Traditional Name: 2-bromo-N-[(E)-1-(3-imidazol-1-ylpropylcarbamoyl)-2-(3-pyridyl)vinyl]benzamide Formula: C21H20BrN5O2 MolecularWeight: 454.3198

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NC(=CC2=CN=CC=C2)C(=O)NCCCN3C=CN=C3)Br

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)N/C(=C/C2=CN=CC=C2)/C(=O)NCCCN3C=CN=C3)Br

InChI

InChI=1S/C21H20BrN5O2/c22-18-7-2-1-6-17(18)20(28)26-19(13-16-5-3-8-23-14-16)21(29)25-9-4-11-27-12-10-24-15-27/h1-3,5-8,10,12-15H,4,9,11H2,(H,25,29)(H,26,28)/b19-13+