4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-(3-piperidin-1-ylpropyl)phthalazin-1-one hydrobromide

Systemtic Name: 4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-(3-piperidin-1-ylpropyl)phthalazin-1-one hydrobromide Openeye Name: 4-[(E)-2-(4-methoxyphenyl)vinyl]-2-[3-(1-piperidyl)propyl]phthalazin-1-one hydrobromide CAS Name: 4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-[3-(1-piperidinyl)propyl]-1-phthalazinone hydrobromide IUPAC Name: 4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-(3-piperidin-1-ylpropyl)phthalazin-1-one hydrobromide Traditional Name: 4-[(E)-2-(4-methoxyphenyl)vinyl]-2-(3-piperidinopropyl)phthalazin-1-one hydrobromide Formula: C25H30BrN3O2 MolecularWeight: 484.4286

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C=CC2=NN(C(=O)C3=CC=CC=C32)CCCN4CCCCC4.Br

Isomeric SMILES

COC1=CC=C(C=C1)/C=C/C2=NN(C(=O)C3=CC=CC=C32)CCCN4CCCCC4.Br

InChI

InChI=1S/C25H29N3O2.BrH/c1-30-21-13-10-20(11-14-21)12-15-24-22-8-3-4-9-23(22)25(29)28(26-24)19-7-18-27-16-5-2-6-17-27;/h3-4,8-15H,2,5-7,16-19H2,1H3;1H/b15-12+;