4-[3,4-bis(fluoranyl)phenyl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)phthalazin-1-amine

Systemtic Name: 4-[3,4-bis(fluoranyl)phenyl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)phthalazin-1-amine Openeye Name: 4-(3,4-difluorophenyl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)phthalazin-1-amine CAS Name: 4-(3,4-difluorophenyl)-N-[3-(1-pyrrolidinylsulfonyl)phenyl]-1-phthalazinamine IUPAC Name: 4-(3,4-difluorophenyl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)phthalazin-1-amine Traditional Name: [4-(3,4-difluorophenyl)phthalazin-1-yl]-(3-pyrrolidinosulfonylphenyl)amine Formula: C24H20F2N4O2S MolecularWeight: 466.503006

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)NC3=NN=C(C4=CC=CC=C43)C5=CC(=C(C=C5)F)F

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)NC3=NN=C(C4=CC=CC=C43)C5=CC(=C(C=C5)F)F

InChI

InChI=1S/C24H20F2N4O2S/c25-21-11-10-16(14-22(21)26)23-19-8-1-2-9-20(19)24(29-28-23)27-17-6-5-7-18(15-17)33(31,32)30-12-3-4-13-30/h1-2,5-11,14-15H,3-4,12-13H2,(H,27,29)