5-chloranyl-3-methyl-1-[(4-methylphenyl)methyl]-N-[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]pyrazole-4-carboxamide

Systemtic Name: 5-chloranyl-3-methyl-1-[(4-methylphenyl)methyl]-N-[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]pyrazole-4-carboxamide Openeye Name: 5-chloro-3-methyl-N-[6-(3-oxopiperazin-1-yl)-3-pyridyl]-1-(p-tolylmethyl)pyrazole-4-carboxamide CAS Name: 5-chloro-3-methyl-1-[(4-methylphenyl)methyl]-N-[6-(3-oxo-1-piperazinyl)-3-pyridinyl]-4-pyrazolecarboxamide IUPAC Name: 5-chloro-3-methyl-1-[(4-methylphenyl)methyl]-N-[6-(3-oxopiperazin-1-yl)pyridin-3-yl]pyrazole-4-carboxamide Traditional Name: 5-chloro-N-[6-(3-ketopiperazino)-3-pyridyl]-3-methyl-1-(4-methylbenzyl)pyrazole-4-carboxamide Formula: C22H23ClN6O2 MolecularWeight: 438.91002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=C(C(=N2)C)C(=O)NC3=CN=C(C=C3)N4CCNC(=O)C4)Cl

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=C(C(=N2)C)C(=O)NC3=CN=C(C=C3)N4CCNC(=O)C4)Cl

InChI

InChI=1S/C22H23ClN6O2/c1-14-3-5-16(6-4-14)12-29-21(23)20(15(2)27-29)22(31)26-17-7-8-18(25-11-17)28-10-9-24-19(30)13-28/h3-8,11H,9-10,12-13H2,1-2H3,(H,24,30)(H,26,31)