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

Systemtic Name: 6-methyl-3-(3-piperidin-1-ylsulfonylphenyl)-[1,2,4]triazolo[3,4-a]phthalazine Openeye Name: 6-methyl-3-[3-(1-piperidylsulfonyl)phenyl]-[1,2,4]triazolo[3,4-a]phthalazine CAS Name: 6-methyl-3-[3-(1-piperidinylsulfonyl)phenyl]-[1,2,4]triazolo[3,4-a]phthalazine IUPAC Name: 6-methyl-3-(3-piperidin-1-ylsulfonylphenyl)-[1,2,4]triazolo[3,4-a]phthalazine Traditional Name: 6-methyl-3-(3-piperidinosulfonylphenyl)-[1,2,4]triazolo[3,4-a]phthalazine Formula: C21H21N5O2S MolecularWeight: 407.48874

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N5O2S/c1-15-18-10-3-4-11-19(18)21-23-22-20(26(21)24-15)16-8-7-9-17(14-16)29(27,28)25-12-5-2-6-13-25/h3-4,7-11,14H,2,5-6,12-13H2,1H3