4-(4-methylphenyl)-2-[2-oxidanyl-3-(2-prop-2-enylphenoxy)propyl]phthalazin-1-one

Systemtic Name: 4-(4-methylphenyl)-2-[2-oxidanyl-3-(2-prop-2-enylphenoxy)propyl]phthalazin-1-one Openeye Name: 2-[3-(2-allylphenoxy)-2-hydroxy-propyl]-4-(p-tolyl)phthalazin-1-one CAS Name: 2-[2-hydroxy-3-(2-prop-2-enylphenoxy)propyl]-4-(4-methylphenyl)-1-phthalazinone IUPAC Name: 2-[2-hydroxy-3-(2-prop-2-enylphenoxy)propyl]-4-(4-methylphenyl)phthalazin-1-one Traditional Name: 2-[3-(2-allylphenoxy)-2-hydroxy-propyl]-4-(p-tolyl)phthalazin-1-one Formula: C27H26N2O3 MolecularWeight: 426.50694

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)CC(COC4=CC=CC=C4CC=C)O

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)CC(COC4=CC=CC=C4CC=C)O

InChI

InChI=1S/C27H26N2O3/c1-3-8-20-9-4-7-12-25(20)32-18-22(30)17-29-27(31)24-11-6-5-10-23(24)26(28-29)21-15-13-19(2)14-16-21/h3-7,9-16,22,30H,1,8,17-18H2,2H3