[4-[(4-azanylquinazolin-2-yl)methyl]piperazin-1-yl]-(4-bromanyl-3,5-dimethoxy-phenyl)methanone

Systemtic Name: [4-[(4-azanylquinazolin-2-yl)methyl]piperazin-1-yl]-(4-bromanyl-3,5-dimethoxy-phenyl)methanone Openeye Name: [4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-(4-bromo-3,5-dimethoxy-phenyl)methanone CAS Name: [4-[(4-amino-2-quinazolinyl)methyl]-1-piperazinyl]-(4-bromo-3,5-dimethoxyphenyl)methanone IUPAC Name: [4-[(4-aminoquinazolin-2-yl)methyl]piperazin-1-yl]-(4-bromo-3,5-dimethoxyphenyl)methanone Traditional Name: [4-[(4-aminoquinazolin-2-yl)methyl]piperazino]-(4-bromo-3,5-dimethoxy-phenyl)methanone Formula: C22H24BrN5O3 MolecularWeight: 486.36166

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1Br)OC)C(=O)N2CCN(CC2)CC3=NC4=CC=CC=C4C(=N3)N

Isomeric SMILES

COC1=CC(=CC(=C1Br)OC)C(=O)N2CCN(CC2)CC3=NC4=CC=CC=C4C(=N3)N

InChI

InChI=1S/C22H24BrN5O3/c1-30-17-11-14(12-18(31-2)20(17)23)22(29)28-9-7-27(8-10-28)13-19-25-16-6-4-3-5-15(16)21(24)26-19/h3-6,11-12H,7-10,13H2,1-2H3,(H2,24,25,26)