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

Systemtic Name: 6-methyl-3-(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)-[1,2,4]triazolo[3,4-a]phthalazine Openeye Name: 6-methyl-3-[4-methyl-3-(1-piperidylsulfonyl)phenyl]-[1,2,4]triazolo[3,4-a]phthalazine CAS Name: 6-methyl-3-[4-methyl-3-(1-piperidinylsulfonyl)phenyl]-[1,2,4]triazolo[3,4-a]phthalazine IUPAC Name: 6-methyl-3-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-[1,2,4]triazolo[3,4-a]phthalazine Traditional Name: 6-methyl-3-(4-methyl-3-piperidinosulfonyl-phenyl)-[1,2,4]triazolo[3,4-a]phthalazine Formula: C22H23N5O2S MolecularWeight: 421.51532

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NN=C3N2N=C(C4=CC=CC=C43)C)S(=O)(=O)N5CCCCC5

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN=C3N2N=C(C4=CC=CC=C43)C)S(=O)(=O)N5CCCCC5

InChI

InChI=1S/C22H23N5O2S/c1-15-10-11-17(14-20(15)30(28,29)26-12-6-3-7-13-26)21-23-24-22-19-9-5-4-8-18(19)16(2)25-27(21)22/h4-5,8-11,14H,3,6-7,12-13H2,1-2H3