4-(2,5-dimethylphenyl)-2-[(3-morpholin-4-ylsulfonylphenyl)methyl]phthalazin-1-one

Systemtic Name: 4-(2,5-dimethylphenyl)-2-[(3-morpholin-4-ylsulfonylphenyl)methyl]phthalazin-1-one Openeye Name: 4-(2,5-dimethylphenyl)-2-[(3-morpholinosulfonylphenyl)methyl]phthalazin-1-one CAS Name: 4-(2,5-dimethylphenyl)-2-[[3-(4-morpholinylsulfonyl)phenyl]methyl]-1-phthalazinone IUPAC Name: 4-(2,5-dimethylphenyl)-2-[(3-morpholin-4-ylsulfonylphenyl)methyl]phthalazin-1-one Traditional Name: 4-(2,5-dimethylphenyl)-2-(3-morpholinosulfonylbenzyl)phthalazin-1-one Formula: C27H27N3O4S MolecularWeight: 489.58598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC(=CC=C4)S(=O)(=O)N5CCOCC5

Isomeric SMILES

CC1=CC(=C(C=C1)C)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC(=CC=C4)S(=O)(=O)N5CCOCC5

InChI

InChI=1S/C27H27N3O4S/c1-19-10-11-20(2)25(16-19)26-23-8-3-4-9-24(23)27(31)30(28-26)18-21-6-5-7-22(17-21)35(32,33)29-12-14-34-15-13-29/h3-11,16-17H,12-15,18H2,1-2H3