1-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]-1,4-diazepan-5-one

Systemtic Name: 1-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]-1,4-diazepan-5-one Openeye Name: 1-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]-1,4-diazepan-5-one CAS Name: 1-[[1-methyl-3-(4-phenoxyphenyl)-4-pyrazolyl]methyl]-1,4-diazepan-5-one IUPAC Name: 1-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]-1,4-diazepan-5-one Traditional Name: 1-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]-1,4-diazepan-5-one Formula: C22H24N4O2 MolecularWeight: 376.45156

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C2=CC=C(C=C2)OC3=CC=CC=C3)CN4CCC(=O)NCC4

Isomeric SMILES

CN1C=C(C(=N1)C2=CC=C(C=C2)OC3=CC=CC=C3)CN4CCC(=O)NCC4

InChI

InChI=1S/C22H24N4O2/c1-25-15-18(16-26-13-11-21(27)23-12-14-26)22(24-25)17-7-9-20(10-8-17)28-19-5-3-2-4-6-19/h2-10,15H,11-14,16H2,1H3,(H,23,27)