1-(4-fluorophenyl)-3-methyl-7-piperidin-1-ylsulfonyl-pyrazolo[3,4-b][1,5]benzoxazepine

Systemtic Name: 1-(4-fluorophenyl)-3-methyl-7-piperidin-1-ylsulfonyl-pyrazolo[3,4-b][1,5]benzoxazepine Openeye Name: 1-(4-fluorophenyl)-3-methyl-7-(1-piperidylsulfonyl)pyrazolo[3,4-b][1,5]benzoxazepine CAS Name: 1-(4-fluorophenyl)-3-methyl-7-(1-piperidinylsulfonyl)pyrazolo[3,4-b][1,5]benzoxazepine IUPAC Name: 1-(4-fluorophenyl)-3-methyl-7-piperidin-1-ylsulfonylpyrazolo[3,4-b][1,5]benzoxazepine Traditional Name: 1-(4-fluorophenyl)-3-methyl-7-piperidinosulfonyl-pyrazolo[3,4-b][1,5]benzoxazepine Formula: C22H21FN4O3S MolecularWeight: 440.490543

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C=NC3=C(O2)C=CC(=C3)S(=O)(=O)N4CCCCC4)C5=CC=C(C=C5)F

Isomeric SMILES

CC1=NN(C2=C1C=NC3=C(O2)C=CC(=C3)S(=O)(=O)N4CCCCC4)C5=CC=C(C=C5)F

InChI

InChI=1S/C22H21FN4O3S/c1-15-19-14-24-20-13-18(31(28,29)26-11-3-2-4-12-26)9-10-21(20)30-22(19)27(25-15)17-7-5-16(23)6-8-17/h5-10,13-14H,2-4,11-12H2,1H3