N-[4-[4-[(1,3-dimethylpyrazol-4-yl)methylamino]piperidin-1-yl]phenyl]-2-fluoranyl-benzamide

Systemtic Name: N-[4-[4-[(1,3-dimethylpyrazol-4-yl)methylamino]piperidin-1-yl]phenyl]-2-fluoranyl-benzamide Openeye Name: N-[4-[4-[(1,3-dimethylpyrazol-4-yl)methylamino]-1-piperidyl]phenyl]-2-fluoro-benzamide CAS Name: N-[4-[4-[(1,3-dimethyl-4-pyrazolyl)methylamino]-1-piperidinyl]phenyl]-2-fluorobenzamide IUPAC Name: N-[4-[4-[(1,3-dimethylpyrazol-4-yl)methylamino]piperidin-1-yl]phenyl]-2-fluorobenzamide Traditional Name: N-[4-[4-[(1,3-dimethylpyrazol-4-yl)methylamino]piperidino]phenyl]-2-fluoro-benzamide Formula: C24H28FN5O MolecularWeight: 421.510423

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1CNC2CCN(CC2)C3=CC=C(C=C3)NC(=O)C4=CC=CC=C4F)C

Isomeric SMILES

CC1=NN(C=C1CNC2CCN(CC2)C3=CC=C(C=C3)NC(=O)C4=CC=CC=C4F)C

InChI

InChI=1S/C24H28FN5O/c1-17-18(16-29(2)28-17)15-26-19-11-13-30(14-12-19)21-9-7-20(8-10-21)27-24(31)22-5-3-4-6-23(22)25/h3-10,16,19,26H,11-15H2,1-2H3,(H,27,31)