N-[[4-(3-oxidanylidenepiperazin-1-yl)phenyl]methyl]-1-phenyl-3-thiophen-2-yl-pyrazole-4-carboxamide

Systemtic Name: N-[[4-(3-oxidanylidenepiperazin-1-yl)phenyl]methyl]-1-phenyl-3-thiophen-2-yl-pyrazole-4-carboxamide Openeye Name: N-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]-1-phenyl-3-(2-thienyl)pyrazole-4-carboxamide CAS Name: N-[[4-(3-oxo-1-piperazinyl)phenyl]methyl]-1-phenyl-3-thiophen-2-yl-4-pyrazolecarboxamide IUPAC Name: N-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide Traditional Name: N-[4-(3-ketopiperazino)benzyl]-1-phenyl-3-(2-thienyl)pyrazole-4-carboxamide Formula: C25H23N5O2S MolecularWeight: 457.54742

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(=O)N1)C2=CC=C(C=C2)CNC(=O)C3=CN(N=C3C4=CC=CS4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CC(=O)N1)C2=CC=C(C=C2)CNC(=O)C3=CN(N=C3C4=CC=CS4)C5=CC=CC=C5

InChI

InChI=1S/C25H23N5O2S/c31-23-17-29(13-12-26-23)19-10-8-18(9-11-19)15-27-25(32)21-16-30(20-5-2-1-3-6-20)28-24(21)22-7-4-14-33-22/h1-11,14,16H,12-13,15,17H2,(H,26,31)(H,27,32)