1-butan-2-yl-5-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]carbonyl-N-(furan-2-ylmethyl)-4-oxidanylidene-pyridine-3-carboxamide

Systemtic Name: 1-butan-2-yl-5-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]carbonyl-N-(furan-2-ylmethyl)-4-oxidanylidene-pyridine-3-carboxamide Openeye Name: 5-[4-[(3-fluorophenyl)methyl]piperazine-1-carbonyl]-N-(2-furylmethyl)-4-oxo-1-sec-butyl-pyridine-3-carboxamide CAS Name: 1-butan-2-yl-5-[[4-[(3-fluorophenyl)methyl]-1-piperazinyl]-oxomethyl]-N-(2-furanylmethyl)-4-oxo-3-pyridinecarboxamide IUPAC Name: 1-butan-2-yl-5-[4-[(3-fluorophenyl)methyl]piperazine-1-carbonyl]-N-(furan-2-ylmethyl)-4-oxopyridine-3-carboxamide Traditional Name: 5-[4-(3-fluorobenzyl)piperazine-1-carbonyl]-N-(2-furfuryl)-4-keto-1-sec-butyl-nicotinamide Formula: C27H31FN4O4 MolecularWeight: 494.557843

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C=C(C(=O)C(=C1)C(=O)N2CCN(CC2)CC3=CC(=CC=C3)F)C(=O)NCC4=CC=CO4

Isomeric SMILES

CCC(C)N1C=C(C(=O)C(=C1)C(=O)N2CCN(CC2)CC3=CC(=CC=C3)F)C(=O)NCC4=CC=CO4

InChI

InChI=1S/C27H31FN4O4/c1-3-19(2)32-17-23(26(34)29-15-22-8-5-13-36-22)25(33)24(18-32)27(35)31-11-9-30(10-12-31)16-20-6-4-7-21(28)14-20/h4-8,13-14,17-19H,3,9-12,15-16H2,1-2H3,(H,29,34)