3-[3-(4-ethylpiperazin-4-ium-1-yl)carbonylphenyl]-2-methyl-6-(2-methylprop-2-enoxy)quinazolin-4-one

Systemtic Name: 3-[3-(4-ethylpiperazin-4-ium-1-yl)carbonylphenyl]-2-methyl-6-(2-methylprop-2-enoxy)quinazolin-4-one Openeye Name: 3-[3-(4-ethylpiperazin-4-ium-1-carbonyl)phenyl]-2-methyl-6-(2-methylallyloxy)quinazolin-4-one CAS Name: 3-[3-[(4-ethyl-1-piperazin-4-iumyl)-oxomethyl]phenyl]-2-methyl-6-(2-methylprop-2-enoxy)-4-quinazolinone IUPAC Name: 3-[3-(4-ethylpiperazin-4-ium-1-carbonyl)phenyl]-2-methyl-6-(2-methylprop-2-enoxy)quinazolin-4-one Traditional Name: 3-[3-(4-ethylpiperazin-4-ium-1-carbonyl)phenyl]-2-methyl-6-(2-methylallyloxy)quinazolin-4-one Formula: C26H31N4O3+ MolecularWeight: 447.54934

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)C2=CC(=CC=C2)N3C(=NC4=C(C3=O)C=C(C=C4)OCC(=C)C)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)C2=CC(=CC=C2)N3C(=NC4=C(C3=O)C=C(C=C4)OCC(=C)C)C

InChI

InChI=1S/C26H30N4O3/c1-5-28-11-13-29(14-12-28)25(31)20-7-6-8-21(15-20)30-19(4)27-24-10-9-22(33-17-18(2)3)16-23(24)26(30)32/h6-10,15-16H,2,5,11-14,17H2,1,3-4H3/p+1