methyl 4-[2-fluoranyl-3-[[(6-methylpyridin-3-yl)carbamoylamino]methyl]phenyl]piperazine-1-carboxylate

Systemtic Name: methyl 4-[2-fluoranyl-3-[[(6-methylpyridin-3-yl)carbamoylamino]methyl]phenyl]piperazine-1-carboxylate Openeye Name: methyl 4-[2-fluoro-3-[[(6-methyl-3-pyridyl)carbamoylamino]methyl]phenyl]piperazine-1-carboxylate CAS Name: 4-[2-fluoro-3-[[[[(6-methyl-3-pyridinyl)amino]-oxomethyl]amino]methyl]phenyl]-1-piperazinecarboxylic acid methyl ester IUPAC Name: methyl 4-[2-fluoro-3-[[(6-methylpyridin-3-yl)carbamoylamino]methyl]phenyl]piperazine-1-carboxylate Traditional Name: 4-[2-fluoro-3-[[(6-methyl-3-pyridyl)carbamoylamino]methyl]phenyl]piperazine-1-carboxylic acid methyl ester Formula: C20H24FN5O3 MolecularWeight: 401.434663

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C=C1)NC(=O)NCC2=C(C(=CC=C2)N3CCN(CC3)C(=O)OC)F

Isomeric SMILES

CC1=NC=C(C=C1)NC(=O)NCC2=C(C(=CC=C2)N3CCN(CC3)C(=O)OC)F

InChI

InChI=1S/C20H24FN5O3/c1-14-6-7-16(13-22-14)24-19(27)23-12-15-4-3-5-17(18(15)21)25-8-10-26(11-9-25)20(28)29-2/h3-7,13H,8-12H2,1-2H3,(H2,23,24,27)