4-(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)-5,6,7,8-tetrahydro-2H-phthalazin-1-one

Systemtic Name: 4-(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)-5,6,7,8-tetrahydro-2H-phthalazin-1-one Openeye Name: 4-(4-methyl-3-morpholinosulfonyl-phenyl)-5,6,7,8-tetrahydro-2H-phthalazin-1-one CAS Name: 4-[4-methyl-3-(4-morpholinylsulfonyl)phenyl]-5,6,7,8-tetrahydro-2H-phthalazin-1-one IUPAC Name: 4-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-5,6,7,8-tetrahydro-2H-phthalazin-1-one Traditional Name: 4-(4-methyl-3-morpholinosulfonyl-phenyl)-5,6,7,8-tetrahydro-2H-phthalazin-1-one Formula: C19H23N3O4S MolecularWeight: 389.46862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NNC(=O)C3=C2CCCC3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NNC(=O)C3=C2CCCC3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C19H23N3O4S/c1-13-6-7-14(12-17(13)27(24,25)22-8-10-26-11-9-22)18-15-4-2-3-5-16(15)19(23)21-20-18/h6-7,12H,2-5,8-11H2,1H3,(H,21,23)