methyl 4-[3-fluoranyl-5-[1-[(6-methylpyridin-3-yl)carbamoylamino]ethyl]phenyl]piperazine-1-carboxylate

Systemtic Name: methyl 4-[3-fluoranyl-5-[1-[(6-methylpyridin-3-yl)carbamoylamino]ethyl]phenyl]piperazine-1-carboxylate Openeye Name: methyl 4-[3-fluoro-5-[1-[(6-methyl-3-pyridyl)carbamoylamino]ethyl]phenyl]piperazine-1-carboxylate CAS Name: 4-[3-fluoro-5-[1-[[[(6-methyl-3-pyridinyl)amino]-oxomethyl]amino]ethyl]phenyl]-1-piperazinecarboxylic acid methyl ester IUPAC Name: methyl 4-[3-fluoro-5-[1-[(6-methylpyridin-3-yl)carbamoylamino]ethyl]phenyl]piperazine-1-carboxylate Traditional Name: 4-[3-fluoro-5-[1-[(6-methyl-3-pyridyl)carbamoylamino]ethyl]phenyl]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)NC(C)C2=CC(=CC(=C2)F)N3CCN(CC3)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H26FN5O3/c1-14-4-5-18(13-23-14)25-20(28)24-15(2)16-10-17(22)12-19(11-16)26-6-8-27(9-7-26)21(29)30-3/h4-5,10-13,15H,6-9H2,1-3H3,(H2,24,25,28)