3,5-dimethyl-N-[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]-1-(phenylmethyl)pyrazole-4-carboxamide

Systemtic Name: 3,5-dimethyl-N-[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]-1-(phenylmethyl)pyrazole-4-carboxamide Openeye Name: 1-benzyl-3,5-dimethyl-N-[6-(3-oxopiperazin-1-yl)-3-pyridyl]pyrazole-4-carboxamide CAS Name: 3,5-dimethyl-N-[6-(3-oxo-1-piperazinyl)-3-pyridinyl]-1-(phenylmethyl)-4-pyrazolecarboxamide IUPAC Name: 1-benzyl-3,5-dimethyl-N-[6-(3-oxopiperazin-1-yl)pyridin-3-yl]pyrazole-4-carboxamide Traditional Name: 1-benzyl-N-[6-(3-ketopiperazino)-3-pyridyl]-3,5-dimethyl-pyrazole-4-carboxamide Formula: C22H24N6O2 MolecularWeight: 404.46496

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2)C)C(=O)NC3=CN=C(C=C3)N4CCNC(=O)C4

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2)C)C(=O)NC3=CN=C(C=C3)N4CCNC(=O)C4

InChI

InChI=1S/C22H24N6O2/c1-15-21(16(2)28(26-15)13-17-6-4-3-5-7-17)22(30)25-18-8-9-19(24-12-18)27-11-10-23-20(29)14-27/h3-9,12H,10-11,13-14H2,1-2H3,(H,23,29)(H,25,30)