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

Systemtic Name: 1-(cyclohexylmethyl)-N-cyclopropyl-5-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]carbonyl-4-oxidanylidene-pyridine-3-carboxamide Openeye Name: 1-(cyclohexylmethyl)-N-cyclopropyl-5-[4-[(3-fluorophenyl)methyl]piperazine-1-carbonyl]-4-oxo-pyridine-3-carboxamide CAS Name: 1-(cyclohexylmethyl)-N-cyclopropyl-5-[[4-[(3-fluorophenyl)methyl]-1-piperazinyl]-oxomethyl]-4-oxo-3-pyridinecarboxamide IUPAC Name: 1-(cyclohexylmethyl)-N-cyclopropyl-5-[4-[(3-fluorophenyl)methyl]piperazine-1-carbonyl]-4-oxopyridine-3-carboxamide Traditional Name: 1-(cyclohexylmethyl)-N-cyclopropyl-5-[4-(3-fluorobenzyl)piperazine-1-carbonyl]-4-keto-nicotinamide Formula: C28H35FN4O3 MolecularWeight: 494.600903

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CN2C=C(C(=O)C(=C2)C(=O)N3CCN(CC3)CC4=CC(=CC=C4)F)C(=O)NC5CC5

Isomeric SMILES

C1CCC(CC1)CN2C=C(C(=O)C(=C2)C(=O)N3CCN(CC3)CC4=CC(=CC=C4)F)C(=O)NC5CC5

InChI

InChI=1S/C28H35FN4O3/c29-22-8-4-7-21(15-22)17-31-11-13-33(14-12-31)28(36)25-19-32(16-20-5-2-1-3-6-20)18-24(26(25)34)27(35)30-23-9-10-23/h4,7-8,15,18-20,23H,1-3,5-6,9-14,16-17H2,(H,30,35)