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

Systemtic Name: methyl (3S)-4-[[2-fluoranyl-3-[(6-methylpyridin-3-yl)carbamoylamino]phenyl]methyl]-3-methyl-piperazine-1-carboxylate Openeye Name: methyl (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 methyl ester IUPAC Name: methyl (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 methyl ester Formula: C21H26FN5O3 MolecularWeight: 415.461243

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26FN5O3/c1-14-7-8-17(11-23-14)24-20(28)25-18-6-4-5-16(19(18)22)13-26-9-10-27(12-15(26)2)21(29)30-3/h4-8,11,15H,9-10,12-13H2,1-3H3,(H2,24,25,28)/t15-/m0/s1