5-(azepan-1-ylcarbonyl)-N-[(5-chloranylthiophen-2-yl)methyl]-1-(2-methylpropyl)-4-oxidanylidene-pyridine-3-carboxamide

Systemtic Name: 5-(azepan-1-ylcarbonyl)-N-[(5-chloranylthiophen-2-yl)methyl]-1-(2-methylpropyl)-4-oxidanylidene-pyridine-3-carboxamide Openeye Name: 5-(azepane-1-carbonyl)-N-[(5-chloro-2-thienyl)methyl]-1-isobutyl-4-oxo-pyridine-3-carboxamide CAS Name: 5-[1-azepanyl(oxo)methyl]-N-[(5-chloro-2-thiophenyl)methyl]-1-(2-methylpropyl)-4-oxo-3-pyridinecarboxamide IUPAC Name: 5-(azepane-1-carbonyl)-N-[(5-chlorothiophen-2-yl)methyl]-1-(2-methylpropyl)-4-oxopyridine-3-carboxamide Traditional Name: 5-(azepane-1-carbonyl)-N-[(5-chloro-2-thienyl)methyl]-1-isobutyl-4-keto-nicotinamide Formula: C22H28ClN3O3S MolecularWeight: 449.99402

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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=C(S3)Cl

Isomeric SMILES

CC(C)CN1C=C(C(=O)C(=C1)C(=O)N2CCCCCC2)C(=O)NCC3=CC=C(S3)Cl

InChI

InChI=1S/C22H28ClN3O3S/c1-15(2)12-25-13-17(21(28)24-11-16-7-8-19(23)30-16)20(27)18(14-25)22(29)26-9-5-3-4-6-10-26/h7-8,13-15H,3-6,9-12H2,1-2H3,(H,24,28)