(E)-N-[4-[(3-bromophenyl)amino]quinazolin-6-yl]-4-pyrazol-1-yl-but-2-enamide

Systemtic Name: (E)-N-[4-[(3-bromophenyl)amino]quinazolin-6-yl]-4-pyrazol-1-yl-but-2-enamide Openeye Name: (E)-N-[4-(3-bromoanilino)quinazolin-6-yl]-4-pyrazol-1-yl-but-2-enamide CAS Name: (E)-N-[4-(3-bromoanilino)-6-quinazolinyl]-4-(1-pyrazolyl)-2-butenamide IUPAC Name: (E)-N-[4-(3-bromoanilino)quinazolin-6-yl]-4-pyrazol-1-ylbut-2-enamide Traditional Name: (E)-N-[4-(3-bromoanilino)quinazolin-6-yl]-4-pyrazol-1-yl-but-2-enamide Formula: C21H17BrN6O MolecularWeight: 449.30328

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)NC2=NC=NC3=C2C=C(C=C3)NC(=O)C=CCN4C=CC=N4

Isomeric SMILES

C1=CC(=CC(=C1)Br)NC2=NC=NC3=C2C=C(C=C3)NC(=O)/C=C/CN4C=CC=N4

InChI

InChI=1S/C21H17BrN6O/c22-15-4-1-5-16(12-15)27-21-18-13-17(7-8-19(18)23-14-24-21)26-20(29)6-2-10-28-11-3-9-25-28/h1-9,11-14H,10H2,(H,26,29)(H,23,24,27)/b6-2+