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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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