5-tert-butyl-N-(3-chloranyl-4-piperazin-1-ylcarbonyl-phenyl)-2-methyl-pyrazole-3-carboxamide

Systemtic Name: 5-tert-butyl-N-(3-chloranyl-4-piperazin-1-ylcarbonyl-phenyl)-2-methyl-pyrazole-3-carboxamide Openeye Name: 5-tert-butyl-N-[3-chloro-4-(piperazine-1-carbonyl)phenyl]-2-methyl-pyrazole-3-carboxamide CAS Name: 5-tert-butyl-N-[3-chloro-4-[oxo(1-piperazinyl)methyl]phenyl]-2-methyl-3-pyrazolecarboxamide IUPAC Name: 5-tert-butyl-N-[3-chloro-4-(piperazine-1-carbonyl)phenyl]-2-methylpyrazole-3-carboxamide Traditional Name: 5-tert-butyl-N-[3-chloro-4-(piperazine-1-carbonyl)phenyl]-2-methyl-pyrazole-3-carboxamide Formula: C20H26ClN5O2 MolecularWeight: 403.90574

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)C(=O)NC2=CC(=C(C=C2)C(=O)N3CCNCC3)Cl)C

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)C(=O)NC2=CC(=C(C=C2)C(=O)N3CCNCC3)Cl)C

InChI

InChI=1S/C20H26ClN5O2/c1-20(2,3)17-12-16(25(4)24-17)18(27)23-13-5-6-14(15(21)11-13)19(28)26-9-7-22-8-10-26/h5-6,11-12,22H,7-10H2,1-4H3,(H,23,27)