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

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

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Descriptors Computed from Structure

Canonical SMILES:

C=CC(=O)CC1=CC2=C(C=C1)N=CN=C2NC3=CC(=CC=C3)Br

Isomeric SMILES

C=CC(=O)CC1=CC2=C(C=C1)N=CN=C2NC3=CC(=CC=C3)Br

InChI

InChI=1S/C18H14BrN3O/c1-2-15(23)8-12-6-7-17-16(9-12)18(21-11-20-17)22-14-5-3-4-13(19)10-14/h2-7,9-11H,1,8H2,(H,20,21,22)