methyl 4-[[4-(3-chloranyl-5-cyano-phenoxy)-5-methyl-1H-pyrazol-3-yl]methyl]piperazine-1-carboxylate

Systemtic Name: methyl 4-[[4-(3-chloranyl-5-cyano-phenoxy)-5-methyl-1H-pyrazol-3-yl]methyl]piperazine-1-carboxylate Openeye Name: methyl 4-[[4-(3-chloro-5-cyano-phenoxy)-5-methyl-1H-pyrazol-3-yl]methyl]piperazine-1-carboxylate CAS Name: 4-[[4-(3-chloro-5-cyanophenoxy)-5-methyl-1H-pyrazol-3-yl]methyl]-1-piperazinecarboxylic acid methyl ester IUPAC Name: methyl 4-[[4-(3-chloro-5-cyanophenoxy)-5-methyl-1H-pyrazol-3-yl]methyl]piperazine-1-carboxylate Traditional Name: 4-[[4-(3-chloro-5-cyano-phenoxy)-5-methyl-1H-pyrazol-3-yl]methyl]piperazine-1-carboxylic acid methyl ester Formula: C18H20ClN5O3 MolecularWeight: 389.8361

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1)CN2CCN(CC2)C(=O)OC)OC3=CC(=CC(=C3)C#N)Cl

Isomeric SMILES

CC1=C(C(=NN1)CN2CCN(CC2)C(=O)OC)OC3=CC(=CC(=C3)C#N)Cl

InChI

InChI=1S/C18H20ClN5O3/c1-12-17(27-15-8-13(10-20)7-14(19)9-15)16(22-21-12)11-23-3-5-24(6-4-23)18(25)26-2/h7-9H,3-6,11H2,1-2H3,(H,21,22)