5-chloranyl-1-[(2-chlorophenyl)methyl]-3-methyl-N-[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]pyrazole-4-carboxamide

Systemtic Name: 5-chloranyl-1-[(2-chlorophenyl)methyl]-3-methyl-N-[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]pyrazole-4-carboxamide Openeye Name: 5-chloro-1-[(2-chlorophenyl)methyl]-3-methyl-N-[6-(3-oxopiperazin-1-yl)-3-pyridyl]pyrazole-4-carboxamide CAS Name: 5-chloro-1-[(2-chlorophenyl)methyl]-3-methyl-N-[6-(3-oxo-1-piperazinyl)-3-pyridinyl]-4-pyrazolecarboxamide IUPAC Name: 5-chloro-1-[(2-chlorophenyl)methyl]-3-methyl-N-[6-(3-oxopiperazin-1-yl)pyridin-3-yl]pyrazole-4-carboxamide Traditional Name: 5-chloro-1-(2-chlorobenzyl)-N-[6-(3-ketopiperazino)-3-pyridyl]-3-methyl-pyrazole-4-carboxamide Formula: C21H20Cl2N6O2 MolecularWeight: 459.3285

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)NC2=CN=C(C=C2)N3CCNC(=O)C3)Cl)CC4=CC=CC=C4Cl

Isomeric SMILES

CC1=NN(C(=C1C(=O)NC2=CN=C(C=C2)N3CCNC(=O)C3)Cl)CC4=CC=CC=C4Cl

InChI

InChI=1S/C21H20Cl2N6O2/c1-13-19(20(23)29(27-13)11-14-4-2-3-5-16(14)22)21(31)26-15-6-7-17(25-10-15)28-9-8-24-18(30)12-28/h2-7,10H,8-9,11-12H2,1H3,(H,24,30)(H,26,31)