N-[4-[(3-bromophenyl)amino]quinazolin-6-yl]-5-imidazol-1-yl-pent-2-ynamide

Systemtic Name: N-[4-[(3-bromophenyl)amino]quinazolin-6-yl]-5-imidazol-1-yl-pent-2-ynamide Openeye Name: N-[4-(3-bromoanilino)quinazolin-6-yl]-5-imidazol-1-yl-pent-2-ynamide CAS Name: N-[4-(3-bromoanilino)-6-quinazolinyl]-5-(1-imidazolyl)-2-pentynamide IUPAC Name: N-[4-(3-bromoanilino)quinazolin-6-yl]-5-imidazol-1-ylpent-2-ynamide Traditional Name: N-[4-(3-bromoanilino)quinazolin-6-yl]-5-imidazol-1-yl-pent-2-ynamide Formula: C22H17BrN6O MolecularWeight: 461.31398

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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#CCCN4C=CN=C4

Isomeric SMILES

C1=CC(=CC(=C1)Br)NC2=NC=NC3=C2C=C(C=C3)NC(=O)C#CCCN4C=CN=C4

InChI

InChI=1S/C22H17BrN6O/c23-16-4-3-5-17(12-16)28-22-19-13-18(7-8-20(19)25-14-26-22)27-21(30)6-1-2-10-29-11-9-24-15-29/h3-5,7-9,11-15H,2,10H2,(H,27,30)(H,25,26,28)