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

Systemtic Name: 2-[(E)-1-(4-methoxyphenyl)-5-(methylamino)pent-1-en-3-yl]phthalazin-1-one hydrobromide Openeye Name: 2-[(E)-3-(4-methoxyphenyl)-1-[2-(methylamino)ethyl]allyl]phthalazin-1-one hydrobromide CAS Name: 2-[(E)-1-(4-methoxyphenyl)-5-(methylamino)pent-1-en-3-yl]-1-phthalazinone hydrobromide IUPAC Name: 2-[(E)-1-(4-methoxyphenyl)-5-(methylamino)pent-1-en-3-yl]phthalazin-1-one hydrobromide Traditional Name: 2-[(E)-3-(4-methoxyphenyl)-1-[2-(methylamino)ethyl]allyl]phthalazin-1-one hydrobromide Formula: C21H24BrN3O2 MolecularWeight: 430.33816

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O2.BrH/c1-22-14-13-18(10-7-16-8-11-19(26-2)12-9-16)24-21(25)20-6-4-3-5-17(20)15-23-24;/h3-12,15,18,22H,13-14H2,1-2H3;1H/b10-7+;