(E)-4-[(3-bromophenyl)amino]-1-quinazolin-6-yl-but-3-en-2-one

Systemtic Name: (E)-4-[(3-bromophenyl)amino]-1-quinazolin-6-yl-but-3-en-2-one Openeye Name: (E)-4-(3-bromoanilino)-1-quinazolin-6-yl-but-3-en-2-one CAS Name: (E)-4-(3-bromoanilino)-1-(6-quinazolinyl)-3-buten-2-one IUPAC Name: (E)-4-(3-bromoanilino)-1-quinazolin-6-ylbut-3-en-2-one Traditional Name: (E)-4-(3-bromoanilino)-1-quinazolin-6-yl-but-3-en-2-one Formula: C18H14BrN3O MolecularWeight: 368.22726

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)NC=CC(=O)CC2=CC3=CN=CN=C3C=C2

Isomeric SMILES

C1=CC(=CC(=C1)Br)N/C=C/C(=O)CC2=CC3=CN=CN=C3C=C2

InChI

InChI=1S/C18H14BrN3O/c19-15-2-1-3-16(10-15)21-7-6-17(23)9-13-4-5-18-14(8-13)11-20-12-22-18/h1-8,10-12,21H,9H2/b7-6+