3-chloranyl-5-[[5-methyl-3-(piperazin-1-ylmethyl)-1H-pyrazol-4-yl]oxy]benzenecarbonitrile

Systemtic Name: 3-chloranyl-5-[[5-methyl-3-(piperazin-1-ylmethyl)-1H-pyrazol-4-yl]oxy]benzenecarbonitrile Openeye Name: 3-chloro-5-[[5-methyl-3-(piperazin-1-ylmethyl)-1H-pyrazol-4-yl]oxy]benzonitrile CAS Name: 3-chloro-5-[[5-methyl-3-(1-piperazinylmethyl)-1H-pyrazol-4-yl]oxy]benzonitrile IUPAC Name: 3-chloro-5-[[5-methyl-3-(piperazin-1-ylmethyl)-1H-pyrazol-4-yl]oxy]benzonitrile Traditional Name: 3-chloro-5-[[5-methyl-3-(piperazinomethyl)-1H-pyrazol-4-yl]oxy]benzonitrile Formula: C16H18ClN5O MolecularWeight: 331.80002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1)CN2CCNCC2)OC3=CC(=CC(=C3)C#N)Cl

Isomeric SMILES

CC1=C(C(=NN1)CN2CCNCC2)OC3=CC(=CC(=C3)C#N)Cl

InChI

InChI=1S/C16H18ClN5O/c1-11-16(23-14-7-12(9-18)6-13(17)8-14)15(21-20-11)10-22-4-2-19-3-5-22/h6-8,19H,2-5,10H2,1H3,(H,20,21)