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

Systemtic Name: 5-(azepan-1-ylcarbonyl)-1-(2-methylpropyl)-4-oxidanylidene-N-(thiophen-3-ylmethyl)pyridine-3-carboxamide Openeye Name: 5-(azepane-1-carbonyl)-1-isobutyl-4-oxo-N-(3-thienylmethyl)pyridine-3-carboxamide CAS Name: 5-[1-azepanyl(oxo)methyl]-1-(2-methylpropyl)-4-oxo-N-(3-thiophenylmethyl)-3-pyridinecarboxamide IUPAC Name: 5-(azepane-1-carbonyl)-1-(2-methylpropyl)-4-oxo-N-(thiophen-3-ylmethyl)pyridine-3-carboxamide Traditional Name: 5-(azepane-1-carbonyl)-1-isobutyl-4-keto-N-(3-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=CSC=C3

Isomeric SMILES

CC(C)CN1C=C(C(=O)C(=C1)C(=O)N2CCCCCC2)C(=O)NCC3=CSC=C3

InChI

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