1-[4-(4-chloranyl-2-fluoranyl-5-methoxy-phenyl)-2-methyl-piperazin-1-yl]-2-pyrazolo[3,4-c]pyridin-1-yl-ethanone

Systemtic Name: 1-[4-(4-chloranyl-2-fluoranyl-5-methoxy-phenyl)-2-methyl-piperazin-1-yl]-2-pyrazolo[3,4-c]pyridin-1-yl-ethanone Openeye Name: 1-[4-(4-chloro-2-fluoro-5-methoxy-phenyl)-2-methyl-piperazin-1-yl]-2-pyrazolo[3,4-c]pyridin-1-yl-ethanone CAS Name: 1-[4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methyl-1-piperazinyl]-2-(1-pyrazolo[3,4-c]pyridinyl)ethanone IUPAC Name: 1-[4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]-2-pyrazolo[3,4-c]pyridin-1-ylethanone Traditional Name: 1-[4-(4-chloro-2-fluoro-5-methoxy-phenyl)-2-methyl-piperazino]-2-pyrazolo[3,4-c]pyridin-1-yl-ethanone Formula: C20H21ClFN5O2 MolecularWeight: 417.864443

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)CN2C3=C(C=CN=C3)C=N2)C4=CC(=C(C=C4F)Cl)OC

Isomeric SMILES

CC1CN(CCN1C(=O)CN2C3=C(C=CN=C3)C=N2)C4=CC(=C(C=C4F)Cl)OC

InChI

InChI=1S/C20H21ClFN5O2/c1-13-11-25(17-8-19(29-2)15(21)7-16(17)22)5-6-26(13)20(28)12-27-18-10-23-4-3-14(18)9-24-27/h3-4,7-10,13H,5-6,11-12H2,1-2H3