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

Systemtic Name: 6-(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)-3-propyl-[1,2,4]triazolo[3,4-a]phthalazine Openeye Name: 6-[4-methyl-3-(1-piperidylsulfonyl)phenyl]-3-propyl-[1,2,4]triazolo[3,4-a]phthalazine CAS Name: 6-[4-methyl-3-(1-piperidinylsulfonyl)phenyl]-3-propyl-[1,2,4]triazolo[3,4-a]phthalazine IUPAC Name: 6-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-3-propyl-[1,2,4]triazolo[3,4-a]phthalazine Traditional Name: 6-(4-methyl-3-piperidinosulfonyl-phenyl)-3-propyl-[1,2,4]triazolo[3,4-a]phthalazine Formula: C24H27N5O2S MolecularWeight: 449.56848

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN=C2N1N=C(C3=CC=CC=C32)C4=CC(=C(C=C4)C)S(=O)(=O)N5CCCCC5

Isomeric SMILES

CCCC1=NN=C2N1N=C(C3=CC=CC=C32)C4=CC(=C(C=C4)C)S(=O)(=O)N5CCCCC5

InChI

InChI=1S/C24H27N5O2S/c1-3-9-22-25-26-24-20-11-6-5-10-19(20)23(27-29(22)24)18-13-12-17(2)21(16-18)32(30,31)28-14-7-4-8-15-28/h5-6,10-13,16H,3-4,7-9,14-15H2,1-2H3