4-(2,5-dimethylphenyl)-2-(2-oxidanyl-3-phenylmethoxy-propyl)phthalazin-1-one

Systemtic Name: 4-(2,5-dimethylphenyl)-2-(2-oxidanyl-3-phenylmethoxy-propyl)phthalazin-1-one Openeye Name: 2-(3-benzyloxy-2-hydroxy-propyl)-4-(2,5-dimethylphenyl)phthalazin-1-one CAS Name: 4-(2,5-dimethylphenyl)-2-(2-hydroxy-3-phenylmethoxypropyl)-1-phthalazinone IUPAC Name: 4-(2,5-dimethylphenyl)-2-(2-hydroxy-3-phenylmethoxypropyl)phthalazin-1-one Traditional Name: 2-(3-benzoxy-2-hydroxy-propyl)-4-(2,5-dimethylphenyl)phthalazin-1-one Formula: C26H26N2O3 MolecularWeight: 414.49624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C2=NN(C(=O)C3=CC=CC=C32)CC(COCC4=CC=CC=C4)O

Isomeric SMILES

CC1=CC(=C(C=C1)C)C2=NN(C(=O)C3=CC=CC=C32)CC(COCC4=CC=CC=C4)O

InChI

InChI=1S/C26H26N2O3/c1-18-12-13-19(2)24(14-18)25-22-10-6-7-11-23(22)26(30)28(27-25)15-21(29)17-31-16-20-8-4-3-5-9-20/h3-14,21,29H,15-17H2,1-2H3