methyl 4-[[4-fluoranyl-3-[[(6-methylpyridin-3-yl)carbamoylamino]methyl]phenyl]methyl]piperazine-1-carboxylate

Systemtic Name: methyl 4-[[4-fluoranyl-3-[[(6-methylpyridin-3-yl)carbamoylamino]methyl]phenyl]methyl]piperazine-1-carboxylate Openeye Name: methyl 4-[[4-fluoro-3-[[(6-methyl-3-pyridyl)carbamoylamino]methyl]phenyl]methyl]piperazine-1-carboxylate CAS Name: 4-[[4-fluoro-3-[[[[(6-methyl-3-pyridinyl)amino]-oxomethyl]amino]methyl]phenyl]methyl]-1-piperazinecarboxylic acid methyl ester IUPAC Name: methyl 4-[[4-fluoro-3-[[(6-methylpyridin-3-yl)carbamoylamino]methyl]phenyl]methyl]piperazine-1-carboxylate Traditional Name: 4-[4-fluoro-3-[[(6-methyl-3-pyridyl)carbamoylamino]methyl]benzyl]piperazine-1-carboxylic acid methyl ester Formula: C21H26FN5O3 MolecularWeight: 415.461243

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C=C1)NC(=O)NCC2=C(C=CC(=C2)CN3CCN(CC3)C(=O)OC)F

Isomeric SMILES

CC1=NC=C(C=C1)NC(=O)NCC2=C(C=CC(=C2)CN3CCN(CC3)C(=O)OC)F

InChI

InChI=1S/C21H26FN5O3/c1-15-3-5-18(13-23-15)25-20(28)24-12-17-11-16(4-6-19(17)22)14-26-7-9-27(10-8-26)21(29)30-2/h3-6,11,13H,7-10,12,14H2,1-2H3,(H2,24,25,28)