[3-[(6-bromanyl-4-phenyl-quinazolin-2-yl)amino]phenyl]-(4-methylpiperazin-4-ium-1-yl)methanone

Systemtic Name: [3-[(6-bromanyl-4-phenyl-quinazolin-2-yl)amino]phenyl]-(4-methylpiperazin-4-ium-1-yl)methanone Openeye Name: [3-[(6-bromo-4-phenyl-quinazolin-2-yl)amino]phenyl]-(4-methylpiperazin-4-ium-1-yl)methanone CAS Name: [3-[(6-bromo-4-phenyl-2-quinazolinyl)amino]phenyl]-(4-methyl-1-piperazin-4-iumyl)methanone IUPAC Name: [3-[(6-bromo-4-phenylquinazolin-2-yl)amino]phenyl]-(4-methylpiperazin-4-ium-1-yl)methanone Traditional Name: [3-[(6-bromo-4-phenyl-quinazolin-2-yl)amino]phenyl]-(4-methylpiperazin-4-ium-1-yl)methanone Formula: C26H25BrN5O+ MolecularWeight: 503.4136

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)C2=CC(=CC=C2)NC3=NC4=C(C=C(C=C4)Br)C(=N3)C5=CC=CC=C5

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)C2=CC(=CC=C2)NC3=NC4=C(C=C(C=C4)Br)C(=N3)C5=CC=CC=C5

InChI

InChI=1S/C26H24BrN5O/c1-31-12-14-32(15-13-31)25(33)19-8-5-9-21(16-19)28-26-29-23-11-10-20(27)17-22(23)24(30-26)18-6-3-2-4-7-18/h2-11,16-17H,12-15H2,1H3,(H,28,29,30)/p+1