2-[4-(2,2-dimethylbutanoyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide

Systemtic Name: 2-[4-(2,2-dimethylbutanoyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide Openeye Name: 2-[4-(2,2-dimethylbutanoyl)piperazin-1-yl]-N-(2-thienylmethyl)pyridine-3-carboxamide CAS Name: 2-[4-(2,2-dimethyl-1-oxobutyl)-1-piperazinyl]-N-(thiophen-2-ylmethyl)-3-pyridinecarboxamide IUPAC Name: 2-[4-(2,2-dimethylbutanoyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide Traditional Name: 2-[4-(2,2-dimethylbutanoyl)piperazino]-N-(2-thenyl)nicotinamide Formula: C21H28N4O2S MolecularWeight: 400.53762

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C(=O)N1CCN(CC1)C2=C(C=CC=N2)C(=O)NCC3=CC=CS3

Isomeric SMILES

CCC(C)(C)C(=O)N1CCN(CC1)C2=C(C=CC=N2)C(=O)NCC3=CC=CS3

InChI

InChI=1S/C21H28N4O2S/c1-4-21(2,3)20(27)25-12-10-24(11-13-25)18-17(8-5-9-22-18)19(26)23-15-16-7-6-14-28-16/h5-9,14H,4,10-13,15H2,1-3H3,(H,23,26)