(E)-3-[4-[(3-bromophenyl)amino]quinazolin-6-yl]prop-2-enal

Systemtic Name: (E)-3-[4-[(3-bromophenyl)amino]quinazolin-6-yl]prop-2-enal Openeye Name: (E)-3-[4-(3-bromoanilino)quinazolin-6-yl]prop-2-enal CAS Name: (E)-3-[4-(3-bromoanilino)-6-quinazolinyl]-2-propenal IUPAC Name: (E)-3-[4-(3-bromoanilino)quinazolin-6-yl]prop-2-enal Traditional Name: (E)-3-[4-(3-bromoanilino)quinazolin-6-yl]acrolein Formula: C17H12BrN3O MolecularWeight: 354.20068

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)NC2=NC=NC3=C2C=C(C=C3)C=CC=O

Isomeric SMILES

C1=CC(=CC(=C1)Br)NC2=NC=NC3=C2C=C(C=C3)/C=C/C=O

InChI

InChI=1S/C17H12BrN3O/c18-13-4-1-5-14(10-13)21-17-15-9-12(3-2-8-22)6-7-16(15)19-11-20-17/h1-11H,(H,19,20,21)/b3-2+