1-[4-[[3-(2-chlorophenyl)-1H-pyrazol-5-yl]carbonyl]-1,4-diazepan-1-yl]ethanone

Systemtic Name: 1-[4-[[3-(2-chlorophenyl)-1H-pyrazol-5-yl]carbonyl]-1,4-diazepan-1-yl]ethanone Openeye Name: 1-[4-[3-(2-chlorophenyl)-1H-pyrazole-5-carbonyl]-1,4-diazepan-1-yl]ethanone CAS Name: 1-[4-[[3-(2-chlorophenyl)-1H-pyrazol-5-yl]-oxomethyl]-1,4-diazepan-1-yl]ethanone IUPAC Name: 1-[4-[3-(2-chlorophenyl)-1H-pyrazole-5-carbonyl]-1,4-diazepan-1-yl]ethanone Traditional Name: 1-[4-[3-(2-chlorophenyl)-1H-pyrazole-5-carbonyl]-1,4-diazepan-1-yl]ethanone Formula: C17H19ClN4O2 MolecularWeight: 346.81136

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCCN(CC1)C(=O)C2=CC(=NN2)C3=CC=CC=C3Cl

Isomeric SMILES

CC(=O)N1CCCN(CC1)C(=O)C2=CC(=NN2)C3=CC=CC=C3Cl

InChI

InChI=1S/C17H19ClN4O2/c1-12(23)21-7-4-8-22(10-9-21)17(24)16-11-15(19-20-16)13-5-2-3-6-14(13)18/h2-3,5-6,11H,4,7-10H2,1H3,(H,19,20)