4-[[4-[4-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)phenyl]carbonylpiperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[4-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)phenyl]carbonylpiperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[4-(4-chloro-3,5-dimethyl-pyrazol-1-yl)benzoyl]piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[[4-(4-chloro-3,5-dimethyl-1-pyrazolyl)phenyl]-oxomethyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)benzoyl]piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[4-(4-chloro-3,5-dimethyl-pyrazol-1-yl)benzoyl]piperazino]methyl]benzonitrile Formula: C24H24ClN5O MolecularWeight: 433.93326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=C(C=C2)C(=O)N3CCN(CC3)CC4=CC=C(C=C4)C#N)C)Cl

Isomeric SMILES

CC1=C(C(=NN1C2=CC=C(C=C2)C(=O)N3CCN(CC3)CC4=CC=C(C=C4)C#N)C)Cl

InChI

InChI=1S/C24H24ClN5O/c1-17-23(25)18(2)30(27-17)22-9-7-21(8-10-22)24(31)29-13-11-28(12-14-29)16-20-5-3-19(15-26)4-6-20/h3-10H,11-14,16H2,1-2H3