[4-(pyridin-2-ylmethyl)piperazin-1-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone

Systemtic Name: [4-(pyridin-2-ylmethyl)piperazin-1-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone Openeye Name: [4-(2-pyridylmethyl)piperazin-1-yl]-(4,5,6,7-tetrahydrobenzothiophen-2-yl)methanone CAS Name: [4-(2-pyridinylmethyl)-1-piperazinyl]-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone IUPAC Name: [4-(pyridin-2-ylmethyl)piperazin-1-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone Traditional Name: [4-(2-pyridylmethyl)piperazino]-(4,5,6,7-tetrahydrobenzothiophen-2-yl)methanone Formula: C19H23N3OS MolecularWeight: 341.47042

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=C(S2)C(=O)N3CCN(CC3)CC4=CC=CC=N4

Isomeric SMILES

C1CCC2=C(C1)C=C(S2)C(=O)N3CCN(CC3)CC4=CC=CC=N4

InChI

InChI=1S/C19H23N3OS/c23-19(18-13-15-5-1-2-7-17(15)24-18)22-11-9-21(10-12-22)14-16-6-3-4-8-20-16/h3-4,6,8,13H,1-2,5,7,9-12,14H2