(6-methyl-2,3-dihydro-1-benzothiophen-2-yl)-[2-(1-methylpyrrol-2-yl)azepan-1-yl]methanone

Systemtic Name: (6-methyl-2,3-dihydro-1-benzothiophen-2-yl)-[2-(1-methylpyrrol-2-yl)azepan-1-yl]methanone Openeye Name: (6-methyl-2,3-dihydrobenzothiophen-2-yl)-[2-(1-methylpyrrol-2-yl)azepan-1-yl]methanone CAS Name: (6-methyl-2,3-dihydro-1-benzothiophen-2-yl)-[2-(1-methyl-2-pyrrolyl)-1-azepanyl]methanone IUPAC Name: (6-methyl-2,3-dihydro-1-benzothiophen-2-yl)-[2-(1-methylpyrrol-2-yl)azepan-1-yl]methanone Traditional Name: (6-methyl-2,3-dihydrobenzothiophen-2-yl)-[2-(1-methylpyrrol-2-yl)azepan-1-yl]methanone Formula: C21H26N2OS MolecularWeight: 354.50894

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(CC(S2)C(=O)N3CCCCCC3C4=CC=CN4C)C=C1

Isomeric SMILES

CC1=CC2=C(CC(S2)C(=O)N3CCCCCC3C4=CC=CN4C)C=C1

InChI

InChI=1S/C21H26N2OS/c1-15-9-10-16-14-20(25-19(16)13-15)21(24)23-12-5-3-4-7-18(23)17-8-6-11-22(17)2/h6,8-11,13,18,20H,3-5,7,12,14H2,1-2H3