PDB CCD ID: | RE7 |
Number of entries in BioLiP: | 2 |
Chemical formula: | C13 H16 F N3 |
InChI: | InChI=1S/C13H16FN3/c1-11(12-3-5-13(14)6-4-12)15-8-10-17-9-2-7-16-17/h2-7,9,11,15H,8,10H2,1H3/t11-/m1/s1 |
InChIKey: | GDFKNYCJQSHPRK-LLVKDONJSA-N |
SMILES: | Software | SMILES |
---|
OpenEye OEToolkits 2.0.6 | CC(c1ccc(cc1)F)NCCn2cccn2 | CACTVS 3.385 | C[C@@H](NCCn1cccn1)c2ccc(F)cc2 | OpenEye OEToolkits 2.0.6 | C[C@H](c1ccc(cc1)F)NCCn2cccn2 | CACTVS 3.385 | C[CH](NCCn1cccn1)c2ccc(F)cc2 | ACDLabs 12.01 | c1cc(ccc1F)C(NCCn2cccn2)C |
|
Name: | (1R)-1-(4-fluorophenyl)-N-[2-(1H-pyrazol-1-yl)ethyl]ethan-1-amine |
ZINC: | ZINC000042538761 |