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

Systemtic Name: N-[(E)-1-(4-bromophenyl)-3-oxidanylidene-3-(pyridin-3-ylmethylamino)prop-1-en-2-yl]benzamide Openeye Name: N-[(E)-2-(4-bromophenyl)-1-(3-pyridylmethylcarbamoyl)vinyl]benzamide CAS Name: N-[(E)-1-(4-bromophenyl)-3-oxo-3-(3-pyridinylmethylamino)prop-1-en-2-yl]benzamide IUPAC Name: N-[(E)-1-(4-bromophenyl)-3-oxo-3-(pyridin-3-ylmethylamino)prop-1-en-2-yl]benzamide Traditional Name: N-[(E)-2-(4-bromophenyl)-1-(3-pyridylmethylcarbamoyl)vinyl]benzamide Formula: C22H18BrN3O2 MolecularWeight: 436.30122

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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)NCC3=CN=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)C(=O)N/C(=C/C2=CC=C(C=C2)Br)/C(=O)NCC3=CN=CC=C3

InChI

InChI=1S/C22H18BrN3O2/c23-19-10-8-16(9-11-19)13-20(26-21(27)18-6-2-1-3-7-18)22(28)25-15-17-5-4-12-24-14-17/h1-14H,15H2,(H,25,28)(H,26,27)/b20-13+