[2-(1-methylpyrrol-2-yl)azepan-1-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone

Systemtic Name: [2-(1-methylpyrrol-2-yl)azepan-1-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone Openeye Name: [2-(1-methylpyrrol-2-yl)azepan-1-yl]-(4,5,6,7-tetrahydrobenzothiophen-2-yl)methanone CAS Name: [2-(1-methyl-2-pyrrolyl)-1-azepanyl]-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone IUPAC Name: [2-(1-methylpyrrol-2-yl)azepan-1-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone Traditional Name: [2-(1-methylpyrrol-2-yl)azepan-1-yl]-(4,5,6,7-tetrahydrobenzothiophen-2-yl)methanone Formula: C20H26N2OS MolecularWeight: 342.49824

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C2CCCCCN2C(=O)C3=CC4=C(S3)CCCC4

Isomeric SMILES

CN1C=CC=C1C2CCCCCN2C(=O)C3=CC4=C(S3)CCCC4

InChI

InChI=1S/C20H26N2OS/c1-21-12-7-10-16(21)17-9-3-2-6-13-22(17)20(23)19-14-15-8-4-5-11-18(15)24-19/h7,10,12,14,17H,2-6,8-9,11,13H2,1H3