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

Systemtic Name: ethyl 4-[[4-[bis(fluoranyl)methoxy]-3-[[(6-methylpyridin-3-yl)carbamoylamino]methyl]phenyl]methyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[[4-(difluoromethoxy)-3-[[(6-methyl-3-pyridyl)carbamoylamino]methyl]phenyl]methyl]piperazine-1-carboxylate CAS Name: 4-[[4-(difluoromethoxy)-3-[[[[(6-methyl-3-pyridinyl)amino]-oxomethyl]amino]methyl]phenyl]methyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[4-(difluoromethoxy)-3-[[(6-methylpyridin-3-yl)carbamoylamino]methyl]phenyl]methyl]piperazine-1-carboxylate Traditional Name: 4-[4-(difluoromethoxy)-3-[[(6-methyl-3-pyridyl)carbamoylamino]methyl]benzyl]piperazine-1-carboxylic acid ethyl ester Formula: C23H29F2N5O4 MolecularWeight: 477.504266

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)CC2=CC(=C(C=C2)OC(F)F)CNC(=O)NC3=CN=C(C=C3)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)CC2=CC(=C(C=C2)OC(F)F)CNC(=O)NC3=CN=C(C=C3)C

InChI

InChI=1S/C23H29F2N5O4/c1-3-33-23(32)30-10-8-29(9-11-30)15-17-5-7-20(34-21(24)25)18(12-17)13-27-22(31)28-19-6-4-16(2)26-14-19/h4-7,12,14,21H,3,8-11,13,15H2,1-2H3,(H2,27,28,31)