6-cyclobutyl-2-(4-methylsulfonylphenyl)-4,5,7,8-tetrahydropyrazolo[3,4-d]azepine

Systemtic Name: 6-cyclobutyl-2-(4-methylsulfonylphenyl)-4,5,7,8-tetrahydropyrazolo[3,4-d]azepine Openeye Name: 6-cyclobutyl-2-(4-methylsulfonylphenyl)-4,5,7,8-tetrahydropyrazolo[3,4-d]azepine CAS Name: 6-cyclobutyl-2-(4-methylsulfonylphenyl)-4,5,7,8-tetrahydropyrazolo[3,4-d]azepine IUPAC Name: 6-cyclobutyl-2-(4-methylsulfonylphenyl)-4,5,7,8-tetrahydropyrazolo[3,4-d]azepine Traditional Name: 6-cyclobutyl-2-(4-mesylphenyl)-4,5,7,8-tetrahydropyrazol[3,4-d]azepine Formula: C18H23N3O2S MolecularWeight: 345.45912

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)N2C=C3CCN(CCC3=N2)C4CCC4

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)N2C=C3CCN(CCC3=N2)C4CCC4

InChI

InChI=1S/C18H23N3O2S/c1-24(22,23)17-7-5-16(6-8-17)21-13-14-9-11-20(15-3-2-4-15)12-10-18(14)19-21/h5-8,13,15H,2-4,9-12H2,1H3