1-[4-[(4-azanylquinazolin-2-yl)methyl]piperazin-1-yl]-2-(2-bromanyl-4-chloranyl-phenoxy)ethanone

Systemtic Name: 1-[4-[(4-azanylquinazolin-2-yl)methyl]piperazin-1-yl]-2-(2-bromanyl-4-chloranyl-phenoxy)ethanone Openeye Name: 1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-2-(2-bromo-4-chloro-phenoxy)ethanone CAS Name: 1-[4-[(4-amino-2-quinazolinyl)methyl]-1-piperazinyl]-2-(2-bromo-4-chlorophenoxy)ethanone IUPAC Name: 1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-2-(2-bromo-4-chlorophenoxy)ethanone Traditional Name: 1-[4-[(4-aminoquinazolin-2-yl)methyl]piperazino]-2-(2-bromo-4-chloro-phenoxy)ethanone Formula: C21H21BrClN5O2 MolecularWeight: 490.78074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=NC3=CC=CC=C3C(=N2)N)C(=O)COC4=C(C=C(C=C4)Cl)Br

Isomeric SMILES

C1CN(CCN1CC2=NC3=CC=CC=C3C(=N2)N)C(=O)COC4=C(C=C(C=C4)Cl)Br

InChI

InChI=1S/C21H21BrClN5O2/c22-16-11-14(23)5-6-18(16)30-13-20(29)28-9-7-27(8-10-28)12-19-25-17-4-2-1-3-15(17)21(24)26-19/h1-6,11H,7-10,12-13H2,(H2,24,25,26)