1-[[1-(2-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-4-yl]methyl]-4-methyl-1,4-diazepane

Systemtic Name: 1-[[1-(2-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-4-yl]methyl]-4-methyl-1,4-diazepane Openeye Name: 1-[[1-(2-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-4-yl]methyl]-4-methyl-1,4-diazepane CAS Name: 1-[[1-(2-fluorophenyl)-3-(4-methoxyphenyl)-4-pyrazolyl]methyl]-4-methyl-1,4-diazepane IUPAC Name: 1-[[1-(2-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-4-yl]methyl]-4-methyl-1,4-diazepane Traditional Name: 1-[[1-(2-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-4-yl]methyl]-4-methyl-1,4-diazepane Formula: C23H27FN4O MolecularWeight: 394.485083

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCCN(CC1)CC2=CN(N=C2C3=CC=C(C=C3)OC)C4=CC=CC=C4F

Isomeric SMILES

CN1CCCN(CC1)CC2=CN(N=C2C3=CC=C(C=C3)OC)C4=CC=CC=C4F

InChI

InChI=1S/C23H27FN4O/c1-26-12-5-13-27(15-14-26)16-19-17-28(22-7-4-3-6-21(22)24)25-23(19)18-8-10-20(29-2)11-9-18/h3-4,6-11,17H,5,12-16H2,1-2H3