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

Systemtic Name: ethyl 4-[1-[2-fluoranyl-3-[(6-methylpyridin-3-yl)carbamoylamino]phenyl]propyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[1-[2-fluoro-3-[(6-methyl-3-pyridyl)carbamoylamino]phenyl]propyl]piperazine-1-carboxylate CAS Name: 4-[1-[2-fluoro-3-[[[(6-methyl-3-pyridinyl)amino]-oxomethyl]amino]phenyl]propyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[1-[2-fluoro-3-[(6-methylpyridin-3-yl)carbamoylamino]phenyl]propyl]piperazine-1-carboxylate Traditional Name: 4-[1-[2-fluoro-3-[(6-methyl-3-pyridyl)carbamoylamino]phenyl]propyl]piperazine-1-carboxylic acid ethyl ester Formula: C23H30FN5O3 MolecularWeight: 443.514403

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=C(C(=CC=C1)NC(=O)NC2=CN=C(C=C2)C)F)N3CCN(CC3)C(=O)OCC

Isomeric SMILES

CCC(C1=C(C(=CC=C1)NC(=O)NC2=CN=C(C=C2)C)F)N3CCN(CC3)C(=O)OCC

InChI

InChI=1S/C23H30FN5O3/c1-4-20(28-11-13-29(14-12-28)23(31)32-5-2)18-7-6-8-19(21(18)24)27-22(30)26-17-10-9-16(3)25-15-17/h6-10,15,20H,4-5,11-14H2,1-3H3,(H2,26,27,30)