4-[(3,5-dimethyl-1-benzothiophen-2-yl)methyl]-N-pyridin-3-yl-piperidine-1-carboxamide

Systemtic Name: 4-[(3,5-dimethyl-1-benzothiophen-2-yl)methyl]-N-pyridin-3-yl-piperidine-1-carboxamide Openeye Name: 4-[(3,5-dimethylbenzothiophen-2-yl)methyl]-N-(3-pyridyl)piperidine-1-carboxamide CAS Name: 4-[(3,5-dimethyl-1-benzothiophen-2-yl)methyl]-N-(3-pyridinyl)-1-piperidinecarboxamide IUPAC Name: 4-[(3,5-dimethyl-1-benzothiophen-2-yl)methyl]-N-pyridin-3-ylpiperidine-1-carboxamide Traditional Name: 4-[(3,5-dimethylbenzothiophen-2-yl)methyl]-N-(3-pyridyl)piperidine-1-carboxamide Formula: C22H25N3OS MolecularWeight: 379.5184

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)SC(=C2C)CC3CCN(CC3)C(=O)NC4=CN=CC=C4

Isomeric SMILES

CC1=CC2=C(C=C1)SC(=C2C)CC3CCN(CC3)C(=O)NC4=CN=CC=C4

InChI

InChI=1S/C22H25N3OS/c1-15-5-6-20-19(12-15)16(2)21(27-20)13-17-7-10-25(11-8-17)22(26)24-18-4-3-9-23-14-18/h3-6,9,12,14,17H,7-8,10-11,13H2,1-2H3,(H,24,26)