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

Systemtic Name: 5-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]carbonyl-4-oxidanylidene-N-(phenylmethyl)-1-propan-2-yl-pyridine-3-carboxamide Openeye Name: N-benzyl-5-[4-[(3-fluorophenyl)methyl]piperazine-1-carbonyl]-1-isopropyl-4-oxo-pyridine-3-carboxamide CAS Name: 5-[[4-[(3-fluorophenyl)methyl]-1-piperazinyl]-oxomethyl]-4-oxo-N-(phenylmethyl)-1-propan-2-yl-3-pyridinecarboxamide IUPAC Name: N-benzyl-5-[4-[(3-fluorophenyl)methyl]piperazine-1-carbonyl]-4-oxo-1-propan-2-ylpyridine-3-carboxamide Traditional Name: N-benzyl-5-[4-(3-fluorobenzyl)piperazine-1-carbonyl]-1-isopropyl-4-keto-nicotinamide Formula: C28H31FN4O3 MolecularWeight: 490.569143

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=C(C(=O)C(=C1)C(=O)N2CCN(CC2)CC3=CC(=CC=C3)F)C(=O)NCC4=CC=CC=C4

Isomeric SMILES

CC(C)N1C=C(C(=O)C(=C1)C(=O)N2CCN(CC2)CC3=CC(=CC=C3)F)C(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C28H31FN4O3/c1-20(2)33-18-24(27(35)30-16-21-7-4-3-5-8-21)26(34)25(19-33)28(36)32-13-11-31(12-14-32)17-22-9-6-10-23(29)15-22/h3-10,15,18-20H,11-14,16-17H2,1-2H3,(H,30,35)