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

Systemtic Name: 2-[(E)-5-(dimethylamino)-1-(4-hydroxyphenyl)pent-1-en-3-yl]phthalazin-1-one Openeye Name: 2-[(E)-1-(2-dimethylaminoethyl)-3-(4-hydroxyphenyl)allyl]phthalazin-1-one CAS Name: 2-[(E)-5-(dimethylamino)-1-(4-hydroxyphenyl)pent-1-en-3-yl]-1-phthalazinone IUPAC Name: 2-[(E)-5-(dimethylamino)-1-(4-hydroxyphenyl)pent-1-en-3-yl]phthalazin-1-one Traditional Name: 2-[(E)-1-(2-dimethylaminoethyl)-3-(4-hydroxyphenyl)allyl]phthalazin-1-one Formula: C21H23N3O2 MolecularWeight: 349.42622

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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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O2/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/b10-7+