1-[4-[(3-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-2-thiophen-2-yl-ethanone

Systemtic Name: 1-[4-[(3-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-2-thiophen-2-yl-ethanone Openeye Name: 1-[4-[(3-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-2-(2-thienyl)ethanone CAS Name: 1-[4-[(3-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-2-thiophen-2-ylethanone IUPAC Name: 1-[4-[(3-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-2-thiophen-2-ylethanone Traditional Name: 1-(4-m-anisyl-1,4-diazepan-1-yl)-2-(2-thienyl)ethanone Formula: C19H24N2O2S MolecularWeight: 344.47106

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CN2CCCN(CC2)C(=O)CC3=CC=CS3

Isomeric SMILES

COC1=CC=CC(=C1)CN2CCCN(CC2)C(=O)CC3=CC=CS3

InChI

InChI=1S/C19H24N2O2S/c1-23-17-6-2-5-16(13-17)15-20-8-4-9-21(11-10-20)19(22)14-18-7-3-12-24-18/h2-3,5-7,12-13H,4,8-11,14-15H2,1H3