1-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]-2-(3,4,5-trimethoxyphenyl)ethanone

Systemtic Name: 1-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]-2-(3,4,5-trimethoxyphenyl)ethanone Openeye Name: 1-[4-(2-thienylmethyl)-1,4-diazepan-1-yl]-2-(3,4,5-trimethoxyphenyl)ethanone CAS Name: 1-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]-2-(3,4,5-trimethoxyphenyl)ethanone IUPAC Name: 1-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]-2-(3,4,5-trimethoxyphenyl)ethanone Traditional Name: 1-[4-(2-thenyl)-1,4-diazepan-1-yl]-2-(3,4,5-trimethoxyphenyl)ethanone Formula: C21H28N2O4S MolecularWeight: 404.52302

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CC(=O)N2CCCN(CC2)CC3=CC=CS3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CC(=O)N2CCCN(CC2)CC3=CC=CS3

InChI

InChI=1S/C21H28N2O4S/c1-25-18-12-16(13-19(26-2)21(18)27-3)14-20(24)23-8-5-7-22(9-10-23)15-17-6-4-11-28-17/h4,6,11-13H,5,7-10,14-15H2,1-3H3