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

Systemtic Name: 2-[(E)-5-(dimethylamino)-1-(4-hydroxyphenyl)pent-1-en-3-yl]phthalazin-1-one hydrochloride Openeye Name: 2-[(E)-1-(2-dimethylaminoethyl)-3-(4-hydroxyphenyl)allyl]phthalazin-1-one hydrochloride CAS Name: 2-[(E)-5-(dimethylamino)-1-(4-hydroxyphenyl)pent-1-en-3-yl]-1-phthalazinone hydrochloride IUPAC Name: 2-[(E)-5-(dimethylamino)-1-(4-hydroxyphenyl)pent-1-en-3-yl]phthalazin-1-one hydrochloride Traditional Name: 2-[(E)-1-(2-dimethylaminoethyl)-3-(4-hydroxyphenyl)allyl]phthalazin-1-one hydrochloride Formula: C21H24ClN3O2 MolecularWeight: 385.88716

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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