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

Systemtic Name: 3-methyl-1-(phenylmethyl)-7-piperidin-1-ylsulfonyl-pyrazolo[3,4-b][1,5]benzoxazepine Openeye Name: 1-benzyl-3-methyl-7-(1-piperidylsulfonyl)pyrazolo[3,4-b][1,5]benzoxazepine CAS Name: 3-methyl-1-(phenylmethyl)-7-(1-piperidinylsulfonyl)pyrazolo[3,4-b][1,5]benzoxazepine IUPAC Name: 1-benzyl-3-methyl-7-piperidin-1-ylsulfonylpyrazolo[3,4-b][1,5]benzoxazepine Traditional Name: 1-benzyl-3-methyl-7-piperidinosulfonyl-pyrazolo[3,4-b][1,5]benzoxazepine Formula: C23H24N4O3S MolecularWeight: 436.52666

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C=NC3=C(O2)C=CC(=C3)S(=O)(=O)N4CCCCC4)CC5=CC=CC=C5

Isomeric SMILES

CC1=NN(C2=C1C=NC3=C(O2)C=CC(=C3)S(=O)(=O)N4CCCCC4)CC5=CC=CC=C5

InChI

InChI=1S/C23H24N4O3S/c1-17-20-15-24-21-14-19(31(28,29)26-12-6-3-7-13-26)10-11-22(21)30-23(20)27(25-17)16-18-8-4-2-5-9-18/h2,4-5,8-11,14-15H,3,6-7,12-13,16H2,1H3