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

Systemtic Name: tert-butyl (3S)-4-[[2-fluoranyl-3-[(6-methylpyridin-3-yl)carbamoylamino]phenyl]methyl]-3-methyl-piperazine-1-carboxylate Openeye Name: tert-butyl (3S)-4-[[2-fluoro-3-[(6-methyl-3-pyridyl)carbamoylamino]phenyl]methyl]-3-methyl-piperazine-1-carboxylate CAS Name: (3S)-4-[[2-fluoro-3-[[[(6-methyl-3-pyridinyl)amino]-oxomethyl]amino]phenyl]methyl]-3-methyl-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3S)-4-[[2-fluoro-3-[(6-methylpyridin-3-yl)carbamoylamino]phenyl]methyl]-3-methylpiperazine-1-carboxylate Traditional Name: (3S)-4-[2-fluoro-3-[(6-methyl-3-pyridyl)carbamoylamino]benzyl]-3-methyl-piperazine-1-carboxylic acid tert-butyl ester Formula: C24H32FN5O3 MolecularWeight: 457.540983

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1CC2=C(C(=CC=C2)NC(=O)NC3=CN=C(C=C3)C)F)C(=O)OC(C)(C)C

Isomeric SMILES

C[C@H]1CN(CCN1CC2=C(C(=CC=C2)NC(=O)NC3=CN=C(C=C3)C)F)C(=O)OC(C)(C)C

InChI

InChI=1S/C24H32FN5O3/c1-16-9-10-19(13-26-16)27-22(31)28-20-8-6-7-18(21(20)25)15-29-11-12-30(14-17(29)2)23(32)33-24(3,4)5/h6-10,13,17H,11-12,14-15H2,1-5H3,(H2,27,28,31)/t17-/m0/s1