(E)-4-[2-[(3-bromophenyl)amino]quinazolin-6-yl]but-2-enamide

Systemtic Name: (E)-4-[2-[(3-bromophenyl)amino]quinazolin-6-yl]but-2-enamide Openeye Name: (E)-4-[2-(3-bromoanilino)quinazolin-6-yl]but-2-enamide CAS Name: (E)-4-[2-(3-bromoanilino)-6-quinazolinyl]-2-butenamide IUPAC Name: (E)-4-[2-(3-bromoanilino)quinazolin-6-yl]but-2-enamide Traditional Name: (E)-4-[2-(3-bromoanilino)quinazolin-6-yl]but-2-enamide Formula: C18H15BrN4O MolecularWeight: 383.2419

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)NC2=NC=C3C=C(C=CC3=N2)CC=CC(=O)N

Isomeric SMILES

C1=CC(=CC(=C1)Br)NC2=NC=C3C=C(C=CC3=N2)C/C=C/C(=O)N

InChI

InChI=1S/C18H15BrN4O/c19-14-4-2-5-15(10-14)22-18-21-11-13-9-12(3-1-6-17(20)24)7-8-16(13)23-18/h1-2,4-11H,3H2,(H2,20,24)(H,21,22,23)/b6-1+