ethyl 4-[3-fluoranyl-5-[1-[(6-methylpyridin-3-yl)carbamoylamino]ethyl]phenyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[3-fluoranyl-5-[1-[(6-methylpyridin-3-yl)carbamoylamino]ethyl]phenyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[3-fluoro-5-[1-[(6-methyl-3-pyridyl)carbamoylamino]ethyl]phenyl]piperazine-1-carboxylate CAS Name: 4-[3-fluoro-5-[1-[[[(6-methyl-3-pyridinyl)amino]-oxomethyl]amino]ethyl]phenyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-fluoro-5-[1-[(6-methylpyridin-3-yl)carbamoylamino]ethyl]phenyl]piperazine-1-carboxylate Traditional Name: 4-[3-fluoro-5-[1-[(6-methyl-3-pyridyl)carbamoylamino]ethyl]phenyl]piperazine-1-carboxylic acid ethyl ester Formula: C22H28FN5O3 MolecularWeight: 429.487823

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=CC(=CC(=C2)C(C)NC(=O)NC3=CN=C(C=C3)C)F

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=CC(=CC(=C2)C(C)NC(=O)NC3=CN=C(C=C3)C)F

InChI

InChI=1S/C22H28FN5O3/c1-4-31-22(30)28-9-7-27(8-10-28)20-12-17(11-18(23)13-20)16(3)25-21(29)26-19-6-5-15(2)24-14-19/h5-6,11-14,16H,4,7-10H2,1-3H3,(H2,25,26,29)