3-(2-methoxy-5-piperidin-1-ylsulfonyl-phenyl)-6-methyl-[1,2,4]triazolo[3,4-a]phthalazine

Systemtic Name: 3-(2-methoxy-5-piperidin-1-ylsulfonyl-phenyl)-6-methyl-[1,2,4]triazolo[3,4-a]phthalazine Openeye Name: 3-[2-methoxy-5-(1-piperidylsulfonyl)phenyl]-6-methyl-[1,2,4]triazolo[3,4-a]phthalazine CAS Name: 3-[2-methoxy-5-(1-piperidinylsulfonyl)phenyl]-6-methyl-[1,2,4]triazolo[3,4-a]phthalazine IUPAC Name: 3-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-6-methyl-[1,2,4]triazolo[3,4-a]phthalazine Traditional Name: 3-(2-methoxy-5-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=C(C=CC(=C3)S(=O)(=O)N4CCCCC4)OC)C5=CC=CC=C15

Isomeric SMILES

CC1=NN2C(=NN=C2C3=C(C=CC(=C3)S(=O)(=O)N4CCCCC4)OC)C5=CC=CC=C15

InChI

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