N,N-diethyl-1-(4-fluorophenyl)-3-methyl-pyrazolo[3,4-b][1,5]benzoxazepine-7-sulfonamide

Systemtic Name: N,N-diethyl-1-(4-fluorophenyl)-3-methyl-pyrazolo[3,4-b][1,5]benzoxazepine-7-sulfonamide Openeye Name: N,N-diethyl-1-(4-fluorophenyl)-3-methyl-pyrazolo[3,4-b][1,5]benzoxazepine-7-sulfonamide CAS Name: N,N-diethyl-1-(4-fluorophenyl)-3-methyl-7-pyrazolo[3,4-b][1,5]benzoxazepinesulfonamide IUPAC Name: N,N-diethyl-1-(4-fluorophenyl)-3-methylpyrazolo[3,4-b][1,5]benzoxazepine-7-sulfonamide Traditional Name: N,N-diethyl-1-(4-fluorophenyl)-3-methyl-pyrazolo[3,4-b][1,5]benzoxazepine-7-sulfonamide Formula: C21H21FN4O3S MolecularWeight: 428.479843

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)OC3=C(C=N2)C(=NN3C4=CC=C(C=C4)F)C

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)OC3=C(C=N2)C(=NN3C4=CC=C(C=C4)F)C

InChI

InChI=1S/C21H21FN4O3S/c1-4-25(5-2)30(27,28)17-10-11-20-19(12-17)23-13-18-14(3)24-26(21(18)29-20)16-8-6-15(22)7-9-16/h6-13H,4-5H2,1-3H3