6-(4-methyl-3-pyrrolidin-1-ylsulfonyl-phenyl)-3-pyridin-4-yl-[1,2,4]triazolo[3,4-a]phthalazine

Systemtic Name: 6-(4-methyl-3-pyrrolidin-1-ylsulfonyl-phenyl)-3-pyridin-4-yl-[1,2,4]triazolo[3,4-a]phthalazine Openeye Name: 6-(4-methyl-3-pyrrolidin-1-ylsulfonyl-phenyl)-3-(4-pyridyl)-[1,2,4]triazolo[3,4-a]phthalazine CAS Name: 6-[4-methyl-3-(1-pyrrolidinylsulfonyl)phenyl]-3-pyridin-4-yl-[1,2,4]triazolo[3,4-a]phthalazine IUPAC Name: 6-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)-3-pyridin-4-yl-[1,2,4]triazolo[3,4-a]phthalazine Traditional Name: 6-(4-methyl-3-pyrrolidinosulfonyl-phenyl)-3-(4-pyridyl)-[1,2,4]triazolo[3,4-a]phthalazine Formula: C25H22N6O2S MolecularWeight: 470.54618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NN3C(=NN=C3C4=CC=CC=C42)C5=CC=NC=C5)S(=O)(=O)N6CCCC6

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN3C(=NN=C3C4=CC=CC=C42)C5=CC=NC=C5)S(=O)(=O)N6CCCC6

InChI

InChI=1S/C25H22N6O2S/c1-17-8-9-19(16-22(17)34(32,33)30-14-4-5-15-30)23-20-6-2-3-7-21(20)25-28-27-24(31(25)29-23)18-10-12-26-13-11-18/h2-3,6-13,16H,4-5,14-15H2,1H3