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

Systemtic Name: 1-[4-[[3-(4-methylphenyl)-1H-pyrazol-5-yl]carbonyl]-1,4-diazepan-1-yl]ethanone Openeye Name: 1-[4-[3-(p-tolyl)-1H-pyrazole-5-carbonyl]-1,4-diazepan-1-yl]ethanone CAS Name: 1-[4-[[3-(4-methylphenyl)-1H-pyrazol-5-yl]-oxomethyl]-1,4-diazepan-1-yl]ethanone IUPAC Name: 1-[4-[3-(4-methylphenyl)-1H-pyrazole-5-carbonyl]-1,4-diazepan-1-yl]ethanone Traditional Name: 1-[4-[3-(p-tolyl)-1H-pyrazole-5-carbonyl]-1,4-diazepan-1-yl]ethanone Formula: C18H22N4O2 MolecularWeight: 326.39288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NNC(=C2)C(=O)N3CCCN(CC3)C(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NNC(=C2)C(=O)N3CCCN(CC3)C(=O)C

InChI

InChI=1S/C18H22N4O2/c1-13-4-6-15(7-5-13)16-12-17(20-19-16)18(24)22-9-3-8-21(10-11-22)14(2)23/h4-7,12H,3,8-11H2,1-2H3,(H,19,20)