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

Systemtic Name: 2-(3-azanylpropyl)-6-[(E)-2-(4-methoxyphenyl)ethenyl]phthalazin-1-one hydrobromide Openeye Name: 2-(3-aminopropyl)-6-[(E)-2-(4-methoxyphenyl)vinyl]phthalazin-1-one hydrobromide CAS Name: 2-(3-aminopropyl)-6-[(E)-2-(4-methoxyphenyl)ethenyl]-1-phthalazinone hydrobromide IUPAC Name: 2-(3-aminopropyl)-6-[(E)-2-(4-methoxyphenyl)ethenyl]phthalazin-1-one hydrobromide Traditional Name: 2-(3-aminopropyl)-6-[(E)-2-(4-methoxyphenyl)vinyl]phthalazin-1-one hydrobromide Formula: C20H22BrN3O2 MolecularWeight: 416.31158

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O2.BrH/c1-25-18-8-5-15(6-9-18)3-4-16-7-10-19-17(13-16)14-22-23(20(19)24)12-2-11-21;/h3-10,13-14H,2,11-12,21H2,1H3;1H/b4-3+;