3-[4-[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]carbonylphenyl]-2-methyl-quinazolin-4-one

Systemtic Name: 3-[4-[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]carbonylphenyl]-2-methyl-quinazolin-4-one Openeye Name: 3-[4-[4-[(3-fluoro-4-methoxy-phenyl)methyl]piperazin-4-ium-1-carbonyl]phenyl]-2-methyl-quinazolin-4-one CAS Name: 3-[4-[[4-[(3-fluoro-4-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]phenyl]-2-methyl-4-quinazolinone IUPAC Name: 3-[4-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-4-ium-1-carbonyl]phenyl]-2-methylquinazolin-4-one Traditional Name: 3-[4-[4-(3-fluoro-4-methoxy-benzyl)piperazin-4-ium-1-carbonyl]phenyl]-2-methyl-quinazolin-4-one Formula: C28H28FN4O3+ MolecularWeight: 487.545323

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)C(=O)N4CC[NH+](CC4)CC5=CC(=C(C=C5)OC)F

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)C(=O)N4CC[NH+](CC4)CC5=CC(=C(C=C5)OC)F

InChI

InChI=1S/C28H27FN4O3/c1-19-30-25-6-4-3-5-23(25)28(35)33(19)22-10-8-21(9-11-22)27(34)32-15-13-31(14-16-32)18-20-7-12-26(36-2)24(29)17-20/h3-12,17H,13-16,18H2,1-2H3/p+1