2-ethyl-1-[4-[[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]carbonyl]piperazin-1-yl]butan-1-one

Systemtic Name: 2-ethyl-1-[4-[[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]carbonyl]piperazin-1-yl]butan-1-one Openeye Name: 2-ethyl-1-[4-[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl]butan-1-one CAS Name: 2-ethyl-1-[4-[[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]-oxomethyl]-1-piperazinyl]-1-butanone IUPAC Name: 2-ethyl-1-[4-[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl]butan-1-one Traditional Name: 2-ethyl-1-[4-[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]piperazino]butan-1-one Formula: C21H28N4O3 MolecularWeight: 384.47202

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(=O)N1CCN(CC1)C(=O)C2=CC(=NN2)C3=CC(=CC=C3)OC

Isomeric SMILES

CCC(CC)C(=O)N1CCN(CC1)C(=O)C2=CC(=NN2)C3=CC(=CC=C3)OC

InChI

InChI=1S/C21H28N4O3/c1-4-15(5-2)20(26)24-9-11-25(12-10-24)21(27)19-14-18(22-23-19)16-7-6-8-17(13-16)28-3/h6-8,13-15H,4-5,9-12H2,1-3H3,(H,22,23)