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

Systemtic Name: 4-(2,5-dimethylphenyl)-2-(3-morpholin-4-yl-2-oxidanyl-propyl)phthalazin-1-one Openeye Name: 4-(2,5-dimethylphenyl)-2-(2-hydroxy-3-morpholino-propyl)phthalazin-1-one CAS Name: 4-(2,5-dimethylphenyl)-2-[2-hydroxy-3-(4-morpholinyl)propyl]-1-phthalazinone IUPAC Name: 4-(2,5-dimethylphenyl)-2-(2-hydroxy-3-morpholin-4-ylpropyl)phthalazin-1-one Traditional Name: 4-(2,5-dimethylphenyl)-2-(2-hydroxy-3-morpholino-propyl)phthalazin-1-one Formula: C23H27N3O3 MolecularWeight: 393.47878

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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(CN4CCOCC4)O

Isomeric SMILES

CC1=CC(=C(C=C1)C)C2=NN(C(=O)C3=CC=CC=C32)CC(CN4CCOCC4)O

InChI

InChI=1S/C23H27N3O3/c1-16-7-8-17(2)21(13-16)22-19-5-3-4-6-20(19)23(28)26(24-22)15-18(27)14-25-9-11-29-12-10-25/h3-8,13,18,27H,9-12,14-15H2,1-2H3