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

Systemtic Name: 6-[(E)-2-(4-methoxyphenyl)ethenyl]-2-(3-piperidin-1-ylpropyl)phthalazin-1-one hydrobromide Openeye Name: 6-[(E)-2-(4-methoxyphenyl)vinyl]-2-[3-(1-piperidyl)propyl]phthalazin-1-one hydrobromide CAS Name: 6-[(E)-2-(4-methoxyphenyl)ethenyl]-2-[3-(1-piperidinyl)propyl]-1-phthalazinone hydrobromide IUPAC Name: 6-[(E)-2-(4-methoxyphenyl)ethenyl]-2-(3-piperidin-1-ylpropyl)phthalazin-1-one hydrobromide Traditional Name: 6-[(E)-2-(4-methoxyphenyl)vinyl]-2-(3-piperidinopropyl)phthalazin-1-one hydrobromide Formula: C25H30BrN3O2 MolecularWeight: 484.4286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C=CC2=CC3=C(C=C2)C(=O)N(N=C3)CCCN4CCCCC4.Br

Isomeric SMILES

COC1=CC=C(C=C1)/C=C/C2=CC3=C(C=C2)C(=O)N(N=C3)CCCN4CCCCC4.Br

InChI

InChI=1S/C25H29N3O2.BrH/c1-30-23-11-8-20(9-12-23)6-7-21-10-13-24-22(18-21)19-26-28(25(24)29)17-5-16-27-14-3-2-4-15-27;/h6-13,18-19H,2-5,14-17H2,1H3;1H/b7-6+;