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

Systemtic Name: 2-hydroxyethyl 4-[[2-fluoranyl-3-[(2-methylpyridin-4-yl)carbamoylamino]phenyl]methyl]piperazine-1-carboxylate Openeye Name: 2-hydroxyethyl 4-[[2-fluoro-3-[(2-methyl-4-pyridyl)carbamoylamino]phenyl]methyl]piperazine-1-carboxylate CAS Name: 4-[[2-fluoro-3-[[[(2-methyl-4-pyridinyl)amino]-oxomethyl]amino]phenyl]methyl]-1-piperazinecarboxylic acid 2-hydroxyethyl ester IUPAC Name: 2-hydroxyethyl 4-[[2-fluoro-3-[(2-methylpyridin-4-yl)carbamoylamino]phenyl]methyl]piperazine-1-carboxylate Traditional Name: 4-[2-fluoro-3-[(2-methyl-4-pyridyl)carbamoylamino]benzyl]piperazine-1-carboxylic acid 2-hydroxyethyl ester Formula: C21H26FN5O4 MolecularWeight: 431.460643

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26FN5O4/c1-15-13-17(5-6-23-15)24-20(29)25-18-4-2-3-16(19(18)22)14-26-7-9-27(10-8-26)21(30)31-12-11-28/h2-6,13,28H,7-12,14H2,1H3,(H2,23,24,25,29)