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

Systemtic Name: N-butan-2-yl-1-cyclopentyl-5-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]carbonyl-4-oxidanylidene-pyridine-3-carboxamide Openeye Name: 1-cyclopentyl-5-[4-[(3-fluorophenyl)methyl]piperazine-1-carbonyl]-4-oxo-N-sec-butyl-pyridine-3-carboxamide CAS Name: N-butan-2-yl-1-cyclopentyl-5-[[4-[(3-fluorophenyl)methyl]-1-piperazinyl]-oxomethyl]-4-oxo-3-pyridinecarboxamide IUPAC Name: N-butan-2-yl-1-cyclopentyl-5-[4-[(3-fluorophenyl)methyl]piperazine-1-carbonyl]-4-oxopyridine-3-carboxamide Traditional Name: 1-cyclopentyl-5-[4-(3-fluorobenzyl)piperazine-1-carbonyl]-4-keto-N-sec-butyl-nicotinamide Formula: C27H35FN4O3 MolecularWeight: 482.590203

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C1=CN(C=C(C1=O)C(=O)N2CCN(CC2)CC3=CC(=CC=C3)F)C4CCCC4

Isomeric SMILES

CCC(C)NC(=O)C1=CN(C=C(C1=O)C(=O)N2CCN(CC2)CC3=CC(=CC=C3)F)C4CCCC4

InChI

InChI=1S/C27H35FN4O3/c1-3-19(2)29-26(34)23-17-32(22-9-4-5-10-22)18-24(25(23)33)27(35)31-13-11-30(12-14-31)16-20-7-6-8-21(28)15-20/h6-8,15,17-19,22H,3-5,9-14,16H2,1-2H3,(H,29,34)