2-(phenylmethyl)-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]carbonyl-phthalazin-1-one

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC=CC2=CC=CC=C2)C(=O)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1C/C=C/C2=CC=CC=C2)C(=O)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5

InChI

InChI=1S/C29H28N4O2/c34-28-26-16-8-7-15-25(26)27(30-33(28)22-24-12-5-2-6-13-24)29(35)32-20-18-31(19-21-32)17-9-14-23-10-3-1-4-11-23/h1-16H,17-22H2/p+1/b14-9+