3-(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)-6-methyl-[1,2,4]triazolo[3,4-a]phthalazine

Systemtic Name: 3-(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)-6-methyl-[1,2,4]triazolo[3,4-a]phthalazine Openeye Name: 3-[4-methoxy-3-(1-piperidylsulfonyl)phenyl]-6-methyl-[1,2,4]triazolo[3,4-a]phthalazine CAS Name: 3-[4-methoxy-3-(1-piperidinylsulfonyl)phenyl]-6-methyl-[1,2,4]triazolo[3,4-a]phthalazine IUPAC Name: 3-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-6-methyl-[1,2,4]triazolo[3,4-a]phthalazine Traditional Name: 3-(4-methoxy-3-piperidinosulfonyl-phenyl)-6-methyl-[1,2,4]triazolo[3,4-a]phthalazine Formula: C22H23N5O3S MolecularWeight: 437.51472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN2C(=NN=C2C3=CC=CC=C13)C4=CC(=C(C=C4)OC)S(=O)(=O)N5CCCCC5

Isomeric SMILES

CC1=NN2C(=NN=C2C3=CC=CC=C13)C4=CC(=C(C=C4)OC)S(=O)(=O)N5CCCCC5

InChI

InChI=1S/C22H23N5O3S/c1-15-17-8-4-5-9-18(17)22-24-23-21(27(22)25-15)16-10-11-19(30-2)20(14-16)31(28,29)26-12-6-3-7-13-26/h4-5,8-11,14H,3,6-7,12-13H2,1-2H3