4-[2-fluoranyl-3-[[(6-methylpyridin-3-yl)carbamoylamino]methyl]phenyl]-N,N-dimethyl-piperazine-1-carboxamide

Systemtic Name: 4-[2-fluoranyl-3-[[(6-methylpyridin-3-yl)carbamoylamino]methyl]phenyl]-N,N-dimethyl-piperazine-1-carboxamide Openeye Name: 4-[2-fluoro-3-[[(6-methyl-3-pyridyl)carbamoylamino]methyl]phenyl]-N,N-dimethyl-piperazine-1-carboxamide CAS Name: 4-[2-fluoro-3-[[[[(6-methyl-3-pyridinyl)amino]-oxomethyl]amino]methyl]phenyl]-N,N-dimethyl-1-piperazinecarboxamide IUPAC Name: 4-[2-fluoro-3-[[(6-methylpyridin-3-yl)carbamoylamino]methyl]phenyl]-N,N-dimethylpiperazine-1-carboxamide Traditional Name: 4-[2-fluoro-3-[[(6-methyl-3-pyridyl)carbamoylamino]methyl]phenyl]-N,N-dimethyl-piperazine-1-carboxamide Formula: C21H27FN6O2 MolecularWeight: 414.476483

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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)N(C)C)F

Isomeric SMILES

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

InChI

InChI=1S/C21H27FN6O2/c1-15-7-8-17(14-23-15)25-20(29)24-13-16-5-4-6-18(19(16)22)27-9-11-28(12-10-27)21(30)26(2)3/h4-8,14H,9-13H2,1-3H3,(H2,24,25,29)