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

Systemtic Name: N-[(E)-1-[4-(2-bromanylphenoxy)phenyl]-3-oxidanylidene-3-(pyridin-3-ylmethylamino)prop-1-en-2-yl]benzamide Openeye Name: N-[(E)-2-[4-(2-bromophenoxy)phenyl]-1-(3-pyridylmethylcarbamoyl)vinyl]benzamide CAS Name: N-[(E)-1-[4-(2-bromophenoxy)phenyl]-3-oxo-3-(3-pyridinylmethylamino)prop-1-en-2-yl]benzamide IUPAC Name: N-[(E)-1-[4-(2-bromophenoxy)phenyl]-3-oxo-3-(pyridin-3-ylmethylamino)prop-1-en-2-yl]benzamide Traditional Name: N-[(E)-2-[4-(2-bromophenoxy)phenyl]-1-(3-pyridylmethylcarbamoyl)vinyl]benzamide Formula: C28H22BrN3O3 MolecularWeight: 528.39658

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC(=CC2=CC=C(C=C2)OC3=CC=CC=C3Br)C(=O)NCC4=CN=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C(=O)N/C(=C/C2=CC=C(C=C2)OC3=CC=CC=C3Br)/C(=O)NCC4=CN=CC=C4

InChI

InChI=1S/C28H22BrN3O3/c29-24-10-4-5-11-26(24)35-23-14-12-20(13-15-23)17-25(32-27(33)22-8-2-1-3-9-22)28(34)31-19-21-7-6-16-30-18-21/h1-18H,19H2,(H,31,34)(H,32,33)/b25-17+