4-[5-[(3-bromophenyl)amino]-6-cyano-1,8-naphthyridin-3-yl]but-2-ynamide

Systemtic Name: 4-[5-[(3-bromophenyl)amino]-6-cyano-1,8-naphthyridin-3-yl]but-2-ynamide Openeye Name: 4-[5-(3-bromoanilino)-6-cyano-1,8-naphthyridin-3-yl]but-2-ynamide CAS Name: 4-[5-(3-bromoanilino)-6-cyano-1,8-naphthyridin-3-yl]-2-butynamide IUPAC Name: 4-[5-(3-bromoanilino)-6-cyano-1,8-naphthyridin-3-yl]but-2-ynamide Traditional Name: 4-[5-(3-bromoanilino)-6-cyano-1,8-naphthyridin-3-yl]but-2-ynamide Formula: C19H12BrN5O MolecularWeight: 406.23548

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)NC2=C(C=NC3=NC=C(C=C23)CC#CC(=O)N)C#N

Isomeric SMILES

C1=CC(=CC(=C1)Br)NC2=C(C=NC3=NC=C(C=C23)CC#CC(=O)N)C#N

InChI

InChI=1S/C19H12BrN5O/c20-14-4-2-5-15(8-14)25-18-13(9-21)11-24-19-16(18)7-12(10-23-19)3-1-6-17(22)26/h2,4-5,7-8,10-11H,3H2,(H2,22,26)(H,23,24,25)