3-methyl-1-phenyl-7-piperidin-1-ylsulfonyl-pyrazolo[3,4-b][1,5]benzoxazepine

Systemtic Name: 3-methyl-1-phenyl-7-piperidin-1-ylsulfonyl-pyrazolo[3,4-b][1,5]benzoxazepine Openeye Name: 3-methyl-1-phenyl-7-(1-piperidylsulfonyl)pyrazolo[3,4-b][1,5]benzoxazepine CAS Name: 3-methyl-1-phenyl-7-(1-piperidinylsulfonyl)pyrazolo[3,4-b][1,5]benzoxazepine IUPAC Name: 3-methyl-1-phenyl-7-piperidin-1-ylsulfonylpyrazolo[3,4-b][1,5]benzoxazepine Traditional Name: 3-methyl-1-phenyl-7-piperidinosulfonyl-pyrazolo[3,4-b][1,5]benzoxazepine Formula: C22H22N4O3S MolecularWeight: 422.50008

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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=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C22H22N4O3S/c1-16-19-15-23-20-14-18(30(27,28)25-12-6-3-7-13-25)10-11-21(20)29-22(19)26(24-16)17-8-4-2-5-9-17/h2,4-5,8-11,14-15H,3,6-7,12-13H2,1H3