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

Systemtic Name: N-tert-butyl-1-cyclohexyl-5-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]carbonyl-4-oxidanylidene-pyridine-3-carboxamide Openeye Name: N-tert-butyl-1-cyclohexyl-5-[4-[(3-fluorophenyl)methyl]piperazine-1-carbonyl]-4-oxo-pyridine-3-carboxamide CAS Name: N-tert-butyl-1-cyclohexyl-5-[[4-[(3-fluorophenyl)methyl]-1-piperazinyl]-oxomethyl]-4-oxo-3-pyridinecarboxamide IUPAC Name: N-tert-butyl-1-cyclohexyl-5-[4-[(3-fluorophenyl)methyl]piperazine-1-carbonyl]-4-oxopyridine-3-carboxamide Traditional Name: N-tert-butyl-1-cyclohexyl-5-[4-(3-fluorobenzyl)piperazine-1-carbonyl]-4-keto-nicotinamide Formula: C28H37FN4O3 MolecularWeight: 496.616783

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H37FN4O3/c1-28(2,3)30-26(35)23-18-33(22-10-5-4-6-11-22)19-24(25(23)34)27(36)32-14-12-31(13-15-32)17-20-8-7-9-21(29)16-20/h7-9,16,18-19,22H,4-6,10-15,17H2,1-3H3,(H,30,35)