1-[(2-chlorophenyl)methyl]-3-methyl-7-piperidin-1-ylsulfonyl-pyrazolo[3,4-b][1,5]benzoxazepine

Systemtic Name: 1-[(2-chlorophenyl)methyl]-3-methyl-7-piperidin-1-ylsulfonyl-pyrazolo[3,4-b][1,5]benzoxazepine Openeye Name: 1-[(2-chlorophenyl)methyl]-3-methyl-7-(1-piperidylsulfonyl)pyrazolo[3,4-b][1,5]benzoxazepine CAS Name: 1-[(2-chlorophenyl)methyl]-3-methyl-7-(1-piperidinylsulfonyl)pyrazolo[3,4-b][1,5]benzoxazepine IUPAC Name: 1-[(2-chlorophenyl)methyl]-3-methyl-7-piperidin-1-ylsulfonylpyrazolo[3,4-b][1,5]benzoxazepine Traditional Name: 1-(2-chlorobenzyl)-3-methyl-7-piperidinosulfonyl-pyrazolo[3,4-b][1,5]benzoxazepine Formula: C23H23ClN4O3S MolecularWeight: 470.97172

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C=NC3=C(O2)C=CC(=C3)S(=O)(=O)N4CCCCC4)CC5=CC=CC=C5Cl

Isomeric SMILES

CC1=NN(C2=C1C=NC3=C(O2)C=CC(=C3)S(=O)(=O)N4CCCCC4)CC5=CC=CC=C5Cl

InChI

InChI=1S/C23H23ClN4O3S/c1-16-19-14-25-21-13-18(32(29,30)27-11-5-2-6-12-27)9-10-22(21)31-23(19)28(26-16)15-17-7-3-4-8-20(17)24/h3-4,7-10,13-14H,2,5-6,11-12,15H2,1H3