2-[4-(3-ethoxythiophen-2-yl)carbonyl-1,4-diazepan-1-yl]-N-phenethyl-ethanamide

Systemtic Name: 2-[4-(3-ethoxythiophen-2-yl)carbonyl-1,4-diazepan-1-yl]-N-phenethyl-ethanamide Openeye Name: 2-[4-(3-ethoxythiophene-2-carbonyl)-1,4-diazepan-1-yl]-N-phenethyl-acetamide CAS Name: 2-[4-[(3-ethoxy-2-thiophenyl)-oxomethyl]-1,4-diazepan-1-yl]-N-phenethylacetamide IUPAC Name: 2-[4-(3-ethoxythiophene-2-carbonyl)-1,4-diazepan-1-yl]-N-phenethylacetamide Traditional Name: 2-[4-(3-ethoxythiophene-2-carbonyl)-1,4-diazepan-1-yl]-N-phenethyl-acetamide Formula: C22H29N3O3S MolecularWeight: 415.54896

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(SC=C1)C(=O)N2CCCN(CC2)CC(=O)NCCC3=CC=CC=C3

Isomeric SMILES

CCOC1=C(SC=C1)C(=O)N2CCCN(CC2)CC(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C22H29N3O3S/c1-2-28-19-10-16-29-21(19)22(27)25-13-6-12-24(14-15-25)17-20(26)23-11-9-18-7-4-3-5-8-18/h3-5,7-8,10,16H,2,6,9,11-15,17H2,1H3,(H,23,26)