N-[2-(azepan-1-yl)-2-thiophen-3-yl-ethyl]-5-methyl-1,2-oxazole-3-carboxamide

Systemtic Name: N-[2-(azepan-1-yl)-2-thiophen-3-yl-ethyl]-5-methyl-1,2-oxazole-3-carboxamide Openeye Name: N-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]-5-methyl-isoxazole-3-carboxamide CAS Name: N-[2-(1-azepanyl)-2-(3-thiophenyl)ethyl]-5-methyl-3-isoxazolecarboxamide IUPAC Name: N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-5-methyl-1,2-oxazole-3-carboxamide Traditional Name: N-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]-5-methyl-isoxazole-3-carboxamide Formula: C17H23N3O2S MolecularWeight: 333.44842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)C(=O)NCC(C2=CSC=C2)N3CCCCCC3

Isomeric SMILES

CC1=CC(=NO1)C(=O)NCC(C2=CSC=C2)N3CCCCCC3

InChI

InChI=1S/C17H23N3O2S/c1-13-10-15(19-22-13)17(21)18-11-16(14-6-9-23-12-14)20-7-4-2-3-5-8-20/h6,9-10,12,16H,2-5,7-8,11H2,1H3,(H,18,21)