3-bromanyl-N-[4-[2-[(3-ethynylphenyl)amino]-2-oxidanylidene-ethyl]phenyl]benzamide

Systemtic Name: 3-bromanyl-N-[4-[2-[(3-ethynylphenyl)amino]-2-oxidanylidene-ethyl]phenyl]benzamide Openeye Name: 3-bromo-N-[4-[2-(3-ethynylanilino)-2-oxo-ethyl]phenyl]benzamide CAS Name: 3-bromo-N-[4-[2-(3-ethynylanilino)-2-oxoethyl]phenyl]benzamide IUPAC Name: 3-bromo-N-[4-[2-(3-ethynylanilino)-2-oxoethyl]phenyl]benzamide Traditional Name: 3-bromo-N-[4-[2-(3-ethynylanilino)-2-keto-ethyl]phenyl]benzamide Formula: C23H17BrN2O2 MolecularWeight: 433.29728

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=CC=C1)NC(=O)CC2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)Br

Isomeric SMILES

C#CC1=CC(=CC=C1)NC(=O)CC2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)Br

InChI

InChI=1S/C23H17BrN2O2/c1-2-16-5-3-8-21(13-16)25-22(27)14-17-9-11-20(12-10-17)26-23(28)18-6-4-7-19(24)15-18/h1,3-13,15H,14H2,(H,25,27)(H,26,28)