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

Systemtic Name: 1-cyclohexyl-5-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]carbonyl-N-methyl-4-oxidanylidene-pyridine-3-carboxamide Openeye Name: 1-cyclohexyl-5-[4-[(3-fluorophenyl)methyl]piperazine-1-carbonyl]-N-methyl-4-oxo-pyridine-3-carboxamide CAS Name: 1-cyclohexyl-5-[[4-[(3-fluorophenyl)methyl]-1-piperazinyl]-oxomethyl]-N-methyl-4-oxo-3-pyridinecarboxamide IUPAC Name: 1-cyclohexyl-5-[4-[(3-fluorophenyl)methyl]piperazine-1-carbonyl]-N-methyl-4-oxopyridine-3-carboxamide Traditional Name: 1-cyclohexyl-5-[4-(3-fluorobenzyl)piperazine-1-carbonyl]-4-keto-N-methyl-nicotinamide Formula: C25H31FN4O3 MolecularWeight: 454.537043

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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)C4CCCCC4

Isomeric SMILES

CNC(=O)C1=CN(C=C(C1=O)C(=O)N2CCN(CC2)CC3=CC(=CC=C3)F)C4CCCCC4

InChI

InChI=1S/C25H31FN4O3/c1-27-24(32)21-16-30(20-8-3-2-4-9-20)17-22(23(21)31)25(33)29-12-10-28(11-13-29)15-18-6-5-7-19(26)14-18/h5-7,14,16-17,20H,2-4,8-13,15H2,1H3,(H,27,32)