azepan-1-yl-[1-[2,4-bis(fluoranyl)phenyl]-5-piperidin-4-yl-pyrazol-4-yl]methanone

Systemtic Name: azepan-1-yl-[1-[2,4-bis(fluoranyl)phenyl]-5-piperidin-4-yl-pyrazol-4-yl]methanone Openeye Name: azepan-1-yl-[1-(2,4-difluorophenyl)-5-(4-piperidyl)pyrazol-4-yl]methanone CAS Name: 1-azepanyl-[1-(2,4-difluorophenyl)-5-(4-piperidinyl)-4-pyrazolyl]methanone IUPAC Name: azepan-1-yl-[1-(2,4-difluorophenyl)-5-piperidin-4-ylpyrazol-4-yl]methanone Traditional Name: azepan-1-yl-[1-(2,4-difluorophenyl)-5-(4-piperidyl)pyrazol-4-yl]methanone Formula: C21H26F2N4O MolecularWeight: 388.454146

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2=C(N(N=C2)C3=C(C=C(C=C3)F)F)C4CCNCC4

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=C(N(N=C2)C3=C(C=C(C=C3)F)F)C4CCNCC4

InChI

InChI=1S/C21H26F2N4O/c22-16-5-6-19(18(23)13-16)27-20(15-7-9-24-10-8-15)17(14-25-27)21(28)26-11-3-1-2-4-12-26/h5-6,13-15,24H,1-4,7-12H2