1-(azepan-1-yl)-2-[4-[1-(3-chlorophenyl)-5-propan-2-yl-pyrazol-4-yl]carbonylpiperazin-1-yl]ethanone

Systemtic Name: 1-(azepan-1-yl)-2-[4-[1-(3-chlorophenyl)-5-propan-2-yl-pyrazol-4-yl]carbonylpiperazin-1-yl]ethanone Openeye Name: 1-(azepan-1-yl)-2-[4-[1-(3-chlorophenyl)-5-isopropyl-pyrazole-4-carbonyl]piperazin-1-yl]ethanone CAS Name: 1-(1-azepanyl)-2-[4-[[1-(3-chlorophenyl)-5-propan-2-yl-4-pyrazolyl]-oxomethyl]-1-piperazinyl]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[4-[1-(3-chlorophenyl)-5-propan-2-ylpyrazole-4-carbonyl]piperazin-1-yl]ethanone Traditional Name: 1-(azepan-1-yl)-2-[4-[1-(3-chlorophenyl)-5-isopropyl-pyrazole-4-carbonyl]piperazino]ethanone Formula: C25H34ClN5O2 MolecularWeight: 472.02276

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C=NN1C2=CC(=CC=C2)Cl)C(=O)N3CCN(CC3)CC(=O)N4CCCCCC4

Isomeric SMILES

CC(C)C1=C(C=NN1C2=CC(=CC=C2)Cl)C(=O)N3CCN(CC3)CC(=O)N4CCCCCC4

InChI

InChI=1S/C25H34ClN5O2/c1-19(2)24-22(17-27-31(24)21-9-7-8-20(26)16-21)25(33)30-14-12-28(13-15-30)18-23(32)29-10-5-3-4-6-11-29/h7-9,16-17,19H,3-6,10-15,18H2,1-2H3