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N-(2,6-dimethylphenyl)-2-[4-(2-thiophen-2-ylethanoyl)-1,4-diazepan-1-yl]ethanamide

N-(2,6-dimethylphenyl)-2-[4-(2-thiophen-2-ylethanoyl)-1,4-diazepan-1-yl]ethanamide

Systemtic Name:N-(2,6-dimethylphenyl)-2-[4-(2-thiophen-2-ylethanoyl)-1,4-diazepan-1-yl]ethanamide
Openeye Name:N-(2,6-dimethylphenyl)-2-[4-[2-(2-thienyl)acetyl]-1,4-diazepan-1-yl]acetamide
CAS Name:N-(2,6-dimethylphenyl)-2-[4-(1-oxo-2-thiophen-2-ylethyl)-1,4-diazepan-1-yl]acetamide
IUPAC Name:N-(2,6-dimethylphenyl)-2-[4-(2-thiophen-2-ylacetyl)-1,4-diazepan-1-yl]acetamide
Traditional Name:N-(2,6-dimethylphenyl)-2-[4-[2-(2-thienyl)acetyl]-1,4-diazepan-1-yl]acetamide
Formula: C21H27N3O2S
MolecularWeight: 385.52298
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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)CN2CCCN(CC2)C(=O)CC3=CC=CS3


Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)CN2CCCN(CC2)C(=O)CC3=CC=CS3


InChI

InChI=1S/C21H27N3O2S/c1-16-6-3-7-17(2)21(16)22-19(25)15-23-9-5-10-24(12-11-23)20(26)14-18-8-4-13-27-18/h3-4,6-8,13H,5,9-12,14-15H2,1-2H3,(H,22,25)


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