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

Systemtic Name: 2-(3-azanylpropyl)-4-[(E)-2-(4-methoxyphenyl)ethenyl]phthalazin-1-one hydrobromide Openeye Name: 2-(3-aminopropyl)-4-[(E)-2-(4-methoxyphenyl)vinyl]phthalazin-1-one hydrobromide CAS Name: 2-(3-aminopropyl)-4-[(E)-2-(4-methoxyphenyl)ethenyl]-1-phthalazinone hydrobromide IUPAC Name: 2-(3-aminopropyl)-4-[(E)-2-(4-methoxyphenyl)ethenyl]phthalazin-1-one hydrobromide Traditional Name: 2-(3-aminopropyl)-4-[(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=NN(C(=O)C3=CC=CC=C32)CCCN.Br

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O2.BrH/c1-25-16-10-7-15(8-11-16)9-12-19-17-5-2-3-6-18(17)20(24)23(22-19)14-4-13-21;/h2-3,5-12H,4,13-14,21H2,1H3;1H/b12-9+;