5-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]carbonyl-N-methyl-4-oxidanylidene-1-(3-phenylpropyl)pyridine-3-carboxamide

Systemtic Name: 5-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]carbonyl-N-methyl-4-oxidanylidene-1-(3-phenylpropyl)pyridine-3-carboxamide Openeye Name: 5-[4-[(3-fluorophenyl)methyl]piperazine-1-carbonyl]-N-methyl-4-oxo-1-(3-phenylpropyl)pyridine-3-carboxamide CAS Name: 5-[[4-[(3-fluorophenyl)methyl]-1-piperazinyl]-oxomethyl]-N-methyl-4-oxo-1-(3-phenylpropyl)-3-pyridinecarboxamide IUPAC Name: 5-[4-[(3-fluorophenyl)methyl]piperazine-1-carbonyl]-N-methyl-4-oxo-1-(3-phenylpropyl)pyridine-3-carboxamide Traditional Name: 5-[4-(3-fluorobenzyl)piperazine-1-carbonyl]-4-keto-N-methyl-1-(3-phenylpropyl)nicotinamide Formula: C28H31FN4O3 MolecularWeight: 490.569143

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=CN(C=C(C1=O)C(=O)N2CCN(CC2)CC3=CC(=CC=C3)F)CCCC4=CC=CC=C4

Isomeric SMILES

CNC(=O)C1=CN(C=C(C1=O)C(=O)N2CCN(CC2)CC3=CC(=CC=C3)F)CCCC4=CC=CC=C4

InChI

InChI=1S/C28H31FN4O3/c1-30-27(35)24-19-32(12-6-10-21-7-3-2-4-8-21)20-25(26(24)34)28(36)33-15-13-31(14-16-33)18-22-9-5-11-23(29)17-22/h2-5,7-9,11,17,19-20H,6,10,12-16,18H2,1H3,(H,30,35)