N-[6-[(E)-3-(4-bromophenyl)prop-2-enoyl]-1H-perimidin-2-yl]ethanamide

Systemtic Name: N-[6-[(E)-3-(4-bromophenyl)prop-2-enoyl]-1H-perimidin-2-yl]ethanamide Openeye Name: N-[6-[(E)-3-(4-bromophenyl)prop-2-enoyl]-1H-perimidin-2-yl]acetamide CAS Name: N-[6-[(E)-3-(4-bromophenyl)-1-oxoprop-2-enyl]-1H-perimidin-2-yl]acetamide IUPAC Name: N-[6-[(E)-3-(4-bromophenyl)prop-2-enoyl]-1H-perimidin-2-yl]acetamide Traditional Name: N-[6-[(E)-3-(4-bromophenyl)acryloyl]-1H-perimidin-2-yl]acetamide Formula: C22H16BrN3O2 MolecularWeight: 434.28534

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC2=C3C(=C(C=C2)C(=O)C=CC4=CC=C(C=C4)Br)C=CC=C3N1

Isomeric SMILES

CC(=O)NC1=NC2=C3C(=C(C=C2)C(=O)/C=C/C4=CC=C(C=C4)Br)C=CC=C3N1

InChI

InChI=1S/C22H16BrN3O2/c1-13(27)24-22-25-18-4-2-3-17-16(10-11-19(26-22)21(17)18)20(28)12-7-14-5-8-15(23)9-6-14/h2-12H,1H3,(H2,24,25,26,27)/b12-7+