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

Systemtic Name: 2-[(E)-1-(dimethylamino)-4-(4-methoxyphenyl)but-3-en-2-yl]phthalazin-1-one hydrobromide Openeye Name: 2-[(E)-1-(dimethylaminomethyl)-3-(4-methoxyphenyl)allyl]phthalazin-1-one hydrobromide CAS Name: 2-[(E)-1-(dimethylamino)-4-(4-methoxyphenyl)but-3-en-2-yl]-1-phthalazinone hydrobromide IUPAC Name: 2-[(E)-1-(dimethylamino)-4-(4-methoxyphenyl)but-3-en-2-yl]phthalazin-1-one hydrobromide Traditional Name: 2-[(E)-1-(dimethylaminomethyl)-3-(4-methoxyphenyl)allyl]phthalazin-1-one hydrobromide Formula: C21H24BrN3O2 MolecularWeight: 430.33816

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O2.BrH/c1-23(2)15-18(11-8-16-9-12-19(26-3)13-10-16)24-21(25)20-7-5-4-6-17(20)14-22-24;/h4-14,18H,15H2,1-3H3;1H/b11-8+;