(2E)-2-[[4-(furan-2-ylcarbonyl)pyridin-3-yl]-piperazin-1-yl-methylidene]hexanamide

Systemtic Name: (2E)-2-[[4-(furan-2-ylcarbonyl)pyridin-3-yl]-piperazin-1-yl-methylidene]hexanamide Openeye Name: (2E)-2-[[4-(furan-2-carbonyl)-3-pyridyl]-piperazin-1-yl-methylene]hexanamide CAS Name: (2E)-2-[[4-[2-furanyl(oxo)methyl]-3-pyridinyl]-(1-piperazinyl)methylidene]hexanamide IUPAC Name: (2E)-2-[[4-(furan-2-carbonyl)pyridin-3-yl]-piperazin-1-ylmethylidene]hexanamide Traditional Name: (E)-2-butyl-3-[4-(2-furoyl)-3-pyridyl]-3-piperazino-acrylamide Formula: C21H26N4O3 MolecularWeight: 382.45614

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=C(C1=C(C=CN=C1)C(=O)C2=CC=CO2)N3CCNCC3)C(=O)N

Isomeric SMILES

CCCC/C(=C(/C1=C(C=CN=C1)C(=O)C2=CC=CO2)\N3CCNCC3)/C(=O)N

InChI

InChI=1S/C21H26N4O3/c1-2-3-5-16(21(22)27)19(25-11-9-23-10-12-25)17-14-24-8-7-15(17)20(26)18-6-4-13-28-18/h4,6-8,13-14,23H,2-3,5,9-12H2,1H3,(H2,22,27)/b19-16+