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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=CN(C=C(C1=O)C(=O)N2CCN(CC2)CC3=CC(=CC=C3)F)CC4=CC=CO4

Isomeric SMILES

CCCCNC(=O)C1=CN(C=C(C1=O)C(=O)N2CCN(CC2)CC3=CC(=CC=C3)F)CC4=CC=CO4

InChI

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