3-(6-bromanyl-4-oxidanylidene-quinazolin-3-yl)-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]propanamide

Systemtic Name: 3-(6-bromanyl-4-oxidanylidene-quinazolin-3-yl)-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]propanamide Openeye Name: 3-(6-bromo-4-oxo-quinazolin-3-yl)-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]propanamide CAS Name: 3-(6-bromo-4-oxo-3-quinazolinyl)-N-[4-(4-methyl-1-piperazin-4-iumyl)phenyl]propanamide IUPAC Name: 3-(6-bromo-4-oxoquinazolin-3-yl)-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]propanamide Traditional Name: 3-(6-bromo-4-keto-quinazolin-3-yl)-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]propionamide Formula: C22H25BrN5O2+ MolecularWeight: 471.3702

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)CCN3C=NC4=C(C3=O)C=C(C=C4)Br

Isomeric SMILES

C[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)CCN3C=NC4=C(C3=O)C=C(C=C4)Br

InChI

InChI=1S/C22H24BrN5O2/c1-26-10-12-27(13-11-26)18-5-3-17(4-6-18)25-21(29)8-9-28-15-24-20-7-2-16(23)14-19(20)22(28)30/h2-7,14-15H,8-13H2,1H3,(H,25,29)/p+1