[2-[4-[[2-fluoranyl-3-[(6-methylpyridin-3-yl)carbamoylamino]phenyl]methyl]piperazin-1-yl]-2-oxidanylidene-ethyl] 2-methylpropanoate

Systemtic Name: [2-[4-[[2-fluoranyl-3-[(6-methylpyridin-3-yl)carbamoylamino]phenyl]methyl]piperazin-1-yl]-2-oxidanylidene-ethyl] 2-methylpropanoate Openeye Name: [2-[4-[[2-fluoro-3-[(6-methyl-3-pyridyl)carbamoylamino]phenyl]methyl]piperazin-1-yl]-2-oxo-ethyl] 2-methylpropanoate CAS Name: 2-methylpropanoic acid [2-[4-[[2-fluoro-3-[[[(6-methyl-3-pyridinyl)amino]-oxomethyl]amino]phenyl]methyl]-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-[[2-fluoro-3-[(6-methylpyridin-3-yl)carbamoylamino]phenyl]methyl]piperazin-1-yl]-2-oxoethyl] 2-methylpropanoate Traditional Name: 2-methylpropionic acid [2-[4-[2-fluoro-3-[(6-methyl-3-pyridyl)carbamoylamino]benzyl]piperazino]-2-keto-ethyl] ester Formula: C24H30FN5O4 MolecularWeight: 471.524503

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C=C1)NC(=O)NC2=CC=CC(=C2F)CN3CCN(CC3)C(=O)COC(=O)C(C)C

Isomeric SMILES

CC1=NC=C(C=C1)NC(=O)NC2=CC=CC(=C2F)CN3CCN(CC3)C(=O)COC(=O)C(C)C

InChI

InChI=1S/C24H30FN5O4/c1-16(2)23(32)34-15-21(31)30-11-9-29(10-12-30)14-18-5-4-6-20(22(18)25)28-24(33)27-19-8-7-17(3)26-13-19/h4-8,13,16H,9-12,14-15H2,1-3H3,(H2,27,28,33)