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

Systemtic Name: 3-(6-bromanyl-4-oxidanylidene-quinazolin-3-yl)-N-[4-(4-ethylpiperazin-4-ium-1-yl)-3-methyl-phenyl]propanamide Openeye Name: 3-(6-bromo-4-oxo-quinazolin-3-yl)-N-[4-(4-ethylpiperazin-4-ium-1-yl)-3-methyl-phenyl]propanamide CAS Name: 3-(6-bromo-4-oxo-3-quinazolinyl)-N-[4-(4-ethyl-1-piperazin-4-iumyl)-3-methylphenyl]propanamide IUPAC Name: 3-(6-bromo-4-oxoquinazolin-3-yl)-N-[4-(4-ethylpiperazin-4-ium-1-yl)-3-methylphenyl]propanamide Traditional Name: 3-(6-bromo-4-keto-quinazolin-3-yl)-N-[4-(4-ethylpiperazin-4-ium-1-yl)-3-methyl-phenyl]propionamide Formula: C24H29BrN5O2+ MolecularWeight: 499.42336

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H28BrN5O2/c1-3-28-10-12-29(13-11-28)22-7-5-19(14-17(22)2)27-23(31)8-9-30-16-26-21-6-4-18(25)15-20(21)24(30)32/h4-7,14-16H,3,8-13H2,1-2H3,(H,27,31)/p+1