(E)-N-[4-[(3-bromophenyl)amino]quinazolin-7-yl]but-2-enamide

Systemtic Name: (E)-N-[4-[(3-bromophenyl)amino]quinazolin-7-yl]but-2-enamide Openeye Name: (E)-N-[4-(3-bromoanilino)quinazolin-7-yl]but-2-enamide CAS Name: (E)-N-[4-(3-bromoanilino)-7-quinazolinyl]-2-butenamide IUPAC Name: (E)-N-[4-(3-bromoanilino)quinazolin-7-yl]but-2-enamide Traditional Name: (E)-N-[4-(3-bromoanilino)quinazolin-7-yl]but-2-enamide Formula: C18H15BrN4O MolecularWeight: 383.2419

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC(=O)NC1=CC2=C(C=C1)C(=NC=N2)NC3=CC(=CC=C3)Br

Isomeric SMILES

C/C=C/C(=O)NC1=CC2=C(C=C1)C(=NC=N2)NC3=CC(=CC=C3)Br

InChI

InChI=1S/C18H15BrN4O/c1-2-4-17(24)22-14-7-8-15-16(10-14)20-11-21-18(15)23-13-6-3-5-12(19)9-13/h2-11H,1H3,(H,22,24)(H,20,21,23)/b4-2+