3-[4-[[4-(methoxymethyl)piperidin-1-yl]methyl]phenyl]-1H-[1]benzothiolo[3,2-c]pyrazole

Systemtic Name: 3-[4-[[4-(methoxymethyl)piperidin-1-yl]methyl]phenyl]-1H-[1]benzothiolo[3,2-c]pyrazole Openeye Name: 3-[4-[[4-(methoxymethyl)-1-piperidyl]methyl]phenyl]-1H-benzothiopheno[3,2-c]pyrazole CAS Name: 3-[4-[[4-(methoxymethyl)-1-piperidinyl]methyl]phenyl]-1H-[1]benzothiolo[3,2-c]pyrazole IUPAC Name: 3-[4-[[4-(methoxymethyl)piperidin-1-yl]methyl]phenyl]-1H-[1]benzothiolo[3,2-c]pyrazole Traditional Name: 3-[4-[[4-(methoxymethyl)piperidino]methyl]phenyl]-1H-benzothiopheno[3,2-c]pyrazole Formula: C23H25N3OS MolecularWeight: 391.5291

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCC1CCN(CC1)CC2=CC=C(C=C2)C3=NNC4=C3SC5=CC=CC=C54

Isomeric SMILES

COCC1CCN(CC1)CC2=CC=C(C=C2)C3=NNC4=C3SC5=CC=CC=C54

InChI

InChI=1S/C23H25N3OS/c1-27-15-17-10-12-26(13-11-17)14-16-6-8-18(9-7-16)21-23-22(25-24-21)19-4-2-3-5-20(19)28-23/h2-9,17H,10-15H2,1H3,(H,24,25)