5-(azepan-1-ylcarbonyl)-1-(2-methylpropyl)-4-oxidanylidene-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide

Systemtic Name: 5-(azepan-1-ylcarbonyl)-1-(2-methylpropyl)-4-oxidanylidene-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide Openeye Name: 5-(azepane-1-carbonyl)-1-isobutyl-4-oxo-N-(2-thienylmethyl)pyridine-3-carboxamide CAS Name: 5-[1-azepanyl(oxo)methyl]-1-(2-methylpropyl)-4-oxo-N-(thiophen-2-ylmethyl)-3-pyridinecarboxamide IUPAC Name: 5-(azepane-1-carbonyl)-1-(2-methylpropyl)-4-oxo-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide Traditional Name: 5-(azepane-1-carbonyl)-1-isobutyl-4-keto-N-(2-thenyl)nicotinamide Formula: C22H29N3O3S MolecularWeight: 415.54896

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C=C(C(=O)C(=C1)C(=O)N2CCCCCC2)C(=O)NCC3=CC=CS3

Isomeric SMILES

CC(C)CN1C=C(C(=O)C(=C1)C(=O)N2CCCCCC2)C(=O)NCC3=CC=CS3

InChI

InChI=1S/C22H29N3O3S/c1-16(2)13-24-14-18(21(27)23-12-17-8-7-11-29-17)20(26)19(15-24)22(28)25-9-5-3-4-6-10-25/h7-8,11,14-16H,3-6,9-10,12-13H2,1-2H3,(H,23,27)