1-[(4-chlorophenyl)methyl]-7-ethylsulfonyl-3-methyl-pyrazolo[3,4-b][1,5]benzoxazepine

Systemtic Name: 1-[(4-chlorophenyl)methyl]-7-ethylsulfonyl-3-methyl-pyrazolo[3,4-b][1,5]benzoxazepine Openeye Name: 1-[(4-chlorophenyl)methyl]-7-ethylsulfonyl-3-methyl-pyrazolo[3,4-b][1,5]benzoxazepine CAS Name: 1-[(4-chlorophenyl)methyl]-7-ethylsulfonyl-3-methylpyrazolo[3,4-b][1,5]benzoxazepine IUPAC Name: 1-[(4-chlorophenyl)methyl]-7-ethylsulfonyl-3-methylpyrazolo[3,4-b][1,5]benzoxazepine Traditional Name: 1-(4-chlorobenzyl)-7-esyl-3-methyl-pyrazolo[3,4-b][1,5]benzoxazepine Formula: C20H18ClN3O3S MolecularWeight: 415.89322

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC2=C(C=C1)OC3=C(C=N2)C(=NN3CC4=CC=C(C=C4)Cl)C

Isomeric SMILES

CCS(=O)(=O)C1=CC2=C(C=C1)OC3=C(C=N2)C(=NN3CC4=CC=C(C=C4)Cl)C

InChI

InChI=1S/C20H18ClN3O3S/c1-3-28(25,26)16-8-9-19-18(10-16)22-11-17-13(2)23-24(20(17)27-19)12-14-4-6-15(21)7-5-14/h4-11H,3,12H2,1-2H3