4-[[4-[1-(3-chlorophenyl)-5-propan-2-yl-pyrazol-4-yl]carbonylpiperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[1-(3-chlorophenyl)-5-propan-2-yl-pyrazol-4-yl]carbonylpiperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[1-(3-chlorophenyl)-5-isopropyl-pyrazole-4-carbonyl]piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[[1-(3-chlorophenyl)-5-propan-2-yl-4-pyrazolyl]-oxomethyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-[1-(3-chlorophenyl)-5-propan-2-ylpyrazole-4-carbonyl]piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[1-(3-chlorophenyl)-5-isopropyl-pyrazole-4-carbonyl]piperazino]methyl]benzonitrile Formula: C25H26ClN5O MolecularWeight: 447.95984

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C=NN1C2=CC(=CC=C2)Cl)C(=O)N3CCN(CC3)CC4=CC=C(C=C4)C#N

Isomeric SMILES

CC(C)C1=C(C=NN1C2=CC(=CC=C2)Cl)C(=O)N3CCN(CC3)CC4=CC=C(C=C4)C#N

InChI

InChI=1S/C25H26ClN5O/c1-18(2)24-23(16-28-31(24)22-5-3-4-21(26)14-22)25(32)30-12-10-29(11-13-30)17-20-8-6-19(15-27)7-9-20/h3-9,14,16,18H,10-13,17H2,1-2H3