N-[(E)-1-(4-bromophenyl)-3-(3-imidazol-1-ylpropylamino)-3-oxidanylidene-prop-1-en-2-yl]benzamide

Systemtic Name: N-[(E)-1-(4-bromophenyl)-3-(3-imidazol-1-ylpropylamino)-3-oxidanylidene-prop-1-en-2-yl]benzamide Openeye Name: N-[(E)-2-(4-bromophenyl)-1-(3-imidazol-1-ylpropylcarbamoyl)vinyl]benzamide CAS Name: N-[(E)-1-(4-bromophenyl)-3-[3-(1-imidazolyl)propylamino]-3-oxoprop-1-en-2-yl]benzamide IUPAC Name: N-[(E)-1-(4-bromophenyl)-3-(3-imidazol-1-ylpropylamino)-3-oxoprop-1-en-2-yl]benzamide Traditional Name: N-[(E)-2-(4-bromophenyl)-1-(3-imidazol-1-ylpropylcarbamoyl)vinyl]benzamide Formula: C22H21BrN4O2 MolecularWeight: 453.33174

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21BrN4O2/c23-19-9-7-17(8-10-19)15-20(26-21(28)18-5-2-1-3-6-18)22(29)25-11-4-13-27-14-12-24-16-27/h1-3,5-10,12,14-16H,4,11,13H2,(H,25,29)(H,26,28)/b20-15+