2-[3-(4-nitrophenyl)-1-phenyl-pyrazol-4-yl]-N-[4-(3-oxidanylidenepiperazin-1-yl)phenyl]ethanamide

Systemtic Name: 2-[3-(4-nitrophenyl)-1-phenyl-pyrazol-4-yl]-N-[4-(3-oxidanylidenepiperazin-1-yl)phenyl]ethanamide Openeye Name: 2-[3-(4-nitrophenyl)-1-phenyl-pyrazol-4-yl]-N-[4-(3-oxopiperazin-1-yl)phenyl]acetamide CAS Name: 2-[3-(4-nitrophenyl)-1-phenyl-4-pyrazolyl]-N-[4-(3-oxo-1-piperazinyl)phenyl]acetamide IUPAC Name: 2-[3-(4-nitrophenyl)-1-phenylpyrazol-4-yl]-N-[4-(3-oxopiperazin-1-yl)phenyl]acetamide Traditional Name: N-[4-(3-ketopiperazino)phenyl]-2-[3-(4-nitrophenyl)-1-phenyl-pyrazol-4-yl]acetamide Formula: C27H24N6O4 MolecularWeight: 496.51726

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(=O)N1)C2=CC=C(C=C2)NC(=O)CC3=CN(N=C3C4=CC=C(C=C4)[N+](=O)[O-])C5=CC=CC=C5

Isomeric SMILES

C1CN(CC(=O)N1)C2=CC=C(C=C2)NC(=O)CC3=CN(N=C3C4=CC=C(C=C4)[N+](=O)[O-])C5=CC=CC=C5

InChI

InChI=1S/C27H24N6O4/c34-25(29-21-8-12-22(13-9-21)31-15-14-28-26(35)18-31)16-20-17-32(23-4-2-1-3-5-23)30-27(20)19-6-10-24(11-7-19)33(36)37/h1-13,17H,14-16,18H2,(H,28,35)(H,29,34)