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

Systemtic Name: 4-(4-methyl-3-pyrrolidin-1-ylsulfonyl-phenyl)-5,6,7,8-tetrahydro-2H-phthalazin-1-one Openeye Name: 4-(4-methyl-3-pyrrolidin-1-ylsulfonyl-phenyl)-5,6,7,8-tetrahydro-2H-phthalazin-1-one CAS Name: 4-[4-methyl-3-(1-pyrrolidinylsulfonyl)phenyl]-5,6,7,8-tetrahydro-2H-phthalazin-1-one IUPAC Name: 4-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)-5,6,7,8-tetrahydro-2H-phthalazin-1-one Traditional Name: 4-(4-methyl-3-pyrrolidinosulfonyl-phenyl)-5,6,7,8-tetrahydro-2H-phthalazin-1-one Formula: C19H23N3O3S MolecularWeight: 373.46922

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NNC(=O)C3=C2CCCC3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NNC(=O)C3=C2CCCC3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C19H23N3O3S/c1-13-8-9-14(12-17(13)26(24,25)22-10-4-5-11-22)18-15-6-2-3-7-16(15)19(23)21-20-18/h8-9,12H,2-7,10-11H2,1H3,(H,21,23)