5-chloranyl-3-methyl-N-[4-(3-oxidanylidenepiperazin-1-yl)phenyl]-1-(phenylmethyl)pyrazole-4-carboxamide

Systemtic Name: 5-chloranyl-3-methyl-N-[4-(3-oxidanylidenepiperazin-1-yl)phenyl]-1-(phenylmethyl)pyrazole-4-carboxamide Openeye Name: 1-benzyl-5-chloro-3-methyl-N-[4-(3-oxopiperazin-1-yl)phenyl]pyrazole-4-carboxamide CAS Name: 5-chloro-3-methyl-N-[4-(3-oxo-1-piperazinyl)phenyl]-1-(phenylmethyl)-4-pyrazolecarboxamide IUPAC Name: 1-benzyl-5-chloro-3-methyl-N-[4-(3-oxopiperazin-1-yl)phenyl]pyrazole-4-carboxamide Traditional Name: 1-benzyl-5-chloro-N-[4-(3-ketopiperazino)phenyl]-3-methyl-pyrazole-4-carboxamide Formula: C22H22ClN5O2 MolecularWeight: 423.89538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)NC2=CC=C(C=C2)N3CCNC(=O)C3)Cl)CC4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1C(=O)NC2=CC=C(C=C2)N3CCNC(=O)C3)Cl)CC4=CC=CC=C4

InChI

InChI=1S/C22H22ClN5O2/c1-15-20(21(23)28(26-15)13-16-5-3-2-4-6-16)22(30)25-17-7-9-18(10-8-17)27-12-11-24-19(29)14-27/h2-10H,11-14H2,1H3,(H,24,29)(H,25,30)