3-(4-chlorophenyl)-N-[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]-1-(phenylmethyl)pyrazole-4-carboxamide

Systemtic Name: 3-(4-chlorophenyl)-N-[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]-1-(phenylmethyl)pyrazole-4-carboxamide Openeye Name: 1-benzyl-3-(4-chlorophenyl)-N-[6-(3-oxopiperazin-1-yl)-3-pyridyl]pyrazole-4-carboxamide CAS Name: 3-(4-chlorophenyl)-N-[6-(3-oxo-1-piperazinyl)-3-pyridinyl]-1-(phenylmethyl)-4-pyrazolecarboxamide IUPAC Name: 1-benzyl-3-(4-chlorophenyl)-N-[6-(3-oxopiperazin-1-yl)pyridin-3-yl]pyrazole-4-carboxamide Traditional Name: 1-benzyl-3-(4-chlorophenyl)-N-[6-(3-ketopiperazino)-3-pyridyl]pyrazole-4-carboxamide Formula: C26H23ClN6O2 MolecularWeight: 486.95282

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(=O)N1)C2=NC=C(C=C2)NC(=O)C3=CN(N=C3C4=CC=C(C=C4)Cl)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CC(=O)N1)C2=NC=C(C=C2)NC(=O)C3=CN(N=C3C4=CC=C(C=C4)Cl)CC5=CC=CC=C5

InChI

InChI=1S/C26H23ClN6O2/c27-20-8-6-19(7-9-20)25-22(16-33(31-25)15-18-4-2-1-3-5-18)26(35)30-21-10-11-23(29-14-21)32-13-12-28-24(34)17-32/h1-11,14,16H,12-13,15,17H2,(H,28,34)(H,30,35)