4-[(5-methyl-1H-pyrazol-3-yl)amino]-7-(3-morpholin-4-ylsulfonylpropoxy)-2-propan-2-yl-phthalazin-1-one

Systemtic Name: 4-[(5-methyl-1H-pyrazol-3-yl)amino]-7-(3-morpholin-4-ylsulfonylpropoxy)-2-propan-2-yl-phthalazin-1-one Openeye Name: 2-isopropyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]-7-(3-morpholinosulfonylpropoxy)phthalazin-1-one CAS Name: 4-[(5-methyl-1H-pyrazol-3-yl)amino]-7-[3-(4-morpholinylsulfonyl)propoxy]-2-propan-2-yl-1-phthalazinone IUPAC Name: 4-[(5-methyl-1H-pyrazol-3-yl)amino]-7-(3-morpholin-4-ylsulfonylpropoxy)-2-propan-2-ylphthalazin-1-one Traditional Name: 2-isopropyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]-7-(3-morpholinosulfonylpropoxy)phthalazin-1-one Formula: C22H30N6O5S MolecularWeight: 490.5758

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1)NC2=NN(C(=O)C3=C2C=CC(=C3)OCCCS(=O)(=O)N4CCOCC4)C(C)C

Isomeric SMILES

CC1=CC(=NN1)NC2=NN(C(=O)C3=C2C=CC(=C3)OCCCS(=O)(=O)N4CCOCC4)C(C)C

InChI

InChI=1S/C22H30N6O5S/c1-15(2)28-22(29)19-14-17(33-9-4-12-34(30,31)27-7-10-32-11-8-27)5-6-18(19)21(26-28)23-20-13-16(3)24-25-20/h5-6,13-15H,4,7-12H2,1-3H3,(H2,23,24,25,26)