3-[4-(4-phenethylpiperazin-4-ium-1-yl)carbonylphenyl]quinazolin-4-one

Systemtic Name: 3-[4-(4-phenethylpiperazin-4-ium-1-yl)carbonylphenyl]quinazolin-4-one Openeye Name: 3-[4-(4-phenethylpiperazin-4-ium-1-carbonyl)phenyl]quinazolin-4-one CAS Name: 3-[4-[oxo-(4-phenethyl-1-piperazin-4-iumyl)methyl]phenyl]-4-quinazolinone IUPAC Name: 3-[4-(4-phenethylpiperazin-4-ium-1-carbonyl)phenyl]quinazolin-4-one Traditional Name: 3-[4-(4-phenethylpiperazin-4-ium-1-carbonyl)phenyl]quinazolin-4-one Formula: C27H27N4O2+ MolecularWeight: 439.52888

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC2=CC=CC=C2)C(=O)C3=CC=C(C=C3)N4C=NC5=CC=CC=C5C4=O

Isomeric SMILES

C1CN(CC[NH+]1CCC2=CC=CC=C2)C(=O)C3=CC=C(C=C3)N4C=NC5=CC=CC=C5C4=O

InChI

InChI=1S/C27H26N4O2/c32-26(30-18-16-29(17-19-30)15-14-21-6-2-1-3-7-21)22-10-12-23(13-11-22)31-20-28-25-9-5-4-8-24(25)27(31)33/h1-13,20H,14-19H2/p+1