2-methyl-3-[4-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]carbonylphenyl]quinazolin-4-one

Systemtic Name: 2-methyl-3-[4-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]carbonylphenyl]quinazolin-4-one Openeye Name: 3-[4-[4-[(E)-cinnamyl]piperazin-4-ium-1-carbonyl]phenyl]-2-methyl-quinazolin-4-one CAS Name: 2-methyl-3-[4-[oxo-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]methyl]phenyl]-4-quinazolinone IUPAC Name: 2-methyl-3-[4-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-carbonyl]phenyl]quinazolin-4-one Traditional Name: 3-[4-[4-[(E)-cinnamyl]piperazin-4-ium-1-carbonyl]phenyl]-2-methyl-quinazolin-4-one Formula: C29H29N4O2+ MolecularWeight: 465.56616

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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)CC=CC5=CC=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C29H28N4O2/c1-22-30-27-12-6-5-11-26(27)29(35)33(22)25-15-13-24(14-16-25)28(34)32-20-18-31(19-21-32)17-7-10-23-8-3-2-4-9-23/h2-16H,17-21H2,1H3/p+1/b10-7+