N-butyl-4-[4-[(3-fluorophenyl)carbamoylamino]phenyl]piperazine-1-carboxamide

Systemtic Name: N-butyl-4-[4-[(3-fluorophenyl)carbamoylamino]phenyl]piperazine-1-carboxamide Openeye Name: N-butyl-4-[4-[(3-fluorophenyl)carbamoylamino]phenyl]piperazine-1-carboxamide CAS Name: N-butyl-4-[4-[[(3-fluoroanilino)-oxomethyl]amino]phenyl]-1-piperazinecarboxamide IUPAC Name: N-butyl-4-[4-[(3-fluorophenyl)carbamoylamino]phenyl]piperazine-1-carboxamide Traditional Name: N-butyl-4-[4-[(3-fluorophenyl)carbamoylamino]phenyl]piperazine-1-carboxamide Formula: C22H28FN5O2 MolecularWeight: 413.488423

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28FN5O2/c1-2-3-11-24-22(30)28-14-12-27(13-15-28)20-9-7-18(8-10-20)25-21(29)26-19-6-4-5-17(23)16-19/h4-10,16H,2-3,11-15H2,1H3,(H,24,30)(H2,25,26,29)