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

Systemtic Name: tert-butyl 4-[2-fluoranyl-3-[[(6-methylpyridin-3-yl)carbamoylamino]methyl]phenyl]piperazine-1-carboxylate Openeye Name: tert-butyl 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 tert-butyl ester IUPAC Name: tert-butyl 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 tert-butyl ester Formula: C23H30FN5O3 MolecularWeight: 443.514403

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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(C)(C)C)F

Isomeric SMILES

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

InChI

InChI=1S/C23H30FN5O3/c1-16-8-9-18(15-25-16)27-21(30)26-14-17-6-5-7-19(20(17)24)28-10-12-29(13-11-28)22(31)32-23(2,3)4/h5-9,15H,10-14H2,1-4H3,(H2,26,27,30)