2-[(E)-5-(dimethylamino)-1-(4-methoxyphenyl)pent-1-en-3-yl]phthalazin-1-one hydrobromide

Systemtic Name: 2-[(E)-5-(dimethylamino)-1-(4-methoxyphenyl)pent-1-en-3-yl]phthalazin-1-one hydrobromide Openeye Name: 2-[(E)-1-(2-dimethylaminoethyl)-3-(4-methoxyphenyl)allyl]phthalazin-1-one hydrobromide CAS Name: 2-[(E)-5-(dimethylamino)-1-(4-methoxyphenyl)pent-1-en-3-yl]-1-phthalazinone hydrobromide IUPAC Name: 2-[(E)-5-(dimethylamino)-1-(4-methoxyphenyl)pent-1-en-3-yl]phthalazin-1-one hydrobromide Traditional Name: 2-[(E)-1-(2-dimethylaminoethyl)-3-(4-methoxyphenyl)allyl]phthalazin-1-one hydrobromide Formula: C22H26BrN3O2 MolecularWeight: 444.36474

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCC(C=CC1=CC=C(C=C1)OC)N2C(=O)C3=CC=CC=C3C=N2.Br

Isomeric SMILES

CN(C)CCC(/C=C/C1=CC=C(C=C1)OC)N2C(=O)C3=CC=CC=C3C=N2.Br

InChI

InChI=1S/C22H25N3O2.BrH/c1-24(2)15-14-19(11-8-17-9-12-20(27-3)13-10-17)25-22(26)21-7-5-4-6-18(21)16-23-25;/h4-13,16,19H,14-15H2,1-3H3;1H/b11-8+;