5-(azepan-1-ylcarbonyl)-1-butan-2-yl-4-oxidanylidene-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide

Systemtic Name: 5-(azepan-1-ylcarbonyl)-1-butan-2-yl-4-oxidanylidene-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide Openeye Name: 5-(azepane-1-carbonyl)-4-oxo-1-sec-butyl-N-[2-(2-thienyl)ethyl]pyridine-3-carboxamide CAS Name: 5-[1-azepanyl(oxo)methyl]-1-butan-2-yl-4-oxo-N-(2-thiophen-2-ylethyl)-3-pyridinecarboxamide IUPAC Name: 5-(azepane-1-carbonyl)-1-butan-2-yl-4-oxo-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide Traditional Name: 5-(azepane-1-carbonyl)-4-keto-1-sec-butyl-N-[2-(2-thienyl)ethyl]nicotinamide Formula: C23H31N3O3S MolecularWeight: 429.57554

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C=C(C(=O)C(=C1)C(=O)N2CCCCCC2)C(=O)NCCC3=CC=CS3

Isomeric SMILES

CCC(C)N1C=C(C(=O)C(=C1)C(=O)N2CCCCCC2)C(=O)NCCC3=CC=CS3

InChI

InChI=1S/C23H31N3O3S/c1-3-17(2)26-15-19(22(28)24-11-10-18-9-8-14-30-18)21(27)20(16-26)23(29)25-12-6-4-5-7-13-25/h8-9,14-17H,3-7,10-13H2,1-2H3,(H,24,28)