1-[4-[4-[4-[5-(acetamidomethyl)-4,5-dihydro-1,2-oxazol-3-yl]-2-fluoranyl-phenyl]piperazin-1-yl]-4-oxidanylidene-butyl]piperidine-4-carboxamide

Systemtic Name: 1-[4-[4-[4-[5-(acetamidomethyl)-4,5-dihydro-1,2-oxazol-3-yl]-2-fluoranyl-phenyl]piperazin-1-yl]-4-oxidanylidene-butyl]piperidine-4-carboxamide Openeye Name: 1-[4-[4-[4-[5-(acetamidomethyl)-4,5-dihydroisoxazol-3-yl]-2-fluoro-phenyl]piperazin-1-yl]-4-oxo-butyl]piperidine-4-carboxamide CAS Name: 1-[4-[4-[4-[5-(acetamidomethyl)-4,5-dihydroisoxazol-3-yl]-2-fluorophenyl]-1-piperazinyl]-4-oxobutyl]-4-piperidinecarboxamide IUPAC Name: 1-[4-[4-[4-[5-(acetamidomethyl)-4,5-dihydro-1,2-oxazol-3-yl]-2-fluorophenyl]piperazin-1-yl]-4-oxobutyl]piperidine-4-carboxamide Traditional Name: 1-[4-[4-[4-[5-(acetamidomethyl)-2-isoxazolin-3-yl]-2-fluoro-phenyl]piperazino]-4-keto-butyl]isonipecotamide Formula: C26H37FN6O4 MolecularWeight: 516.608183

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC1CC(=NO1)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)CCCN4CCC(CC4)C(=O)N)F

Isomeric SMILES

CC(=O)NCC1CC(=NO1)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)CCCN4CCC(CC4)C(=O)N)F

InChI

InChI=1S/C26H37FN6O4/c1-18(34)29-17-21-16-23(30-37-21)20-4-5-24(22(27)15-20)32-11-13-33(14-12-32)25(35)3-2-8-31-9-6-19(7-10-31)26(28)36/h4-5,15,19,21H,2-3,6-14,16-17H2,1H3,(H2,28,36)(H,29,34)