1-[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]-2-(4-pyrazol-1-ylphenyl)ethanone

Systemtic Name: 1-[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]-2-(4-pyrazol-1-ylphenyl)ethanone Openeye Name: 1-[4-(4-chloro-2-nitro-phenyl)piperazin-1-yl]-2-(4-pyrazol-1-ylphenyl)ethanone CAS Name: 1-[4-(4-chloro-2-nitrophenyl)-1-piperazinyl]-2-[4-(1-pyrazolyl)phenyl]ethanone IUPAC Name: 1-[4-(4-chloro-2-nitrophenyl)piperazin-1-yl]-2-(4-pyrazol-1-ylphenyl)ethanone Traditional Name: 1-[4-(4-chloro-2-nitro-phenyl)piperazino]-2-(4-pyrazol-1-ylphenyl)ethanone Formula: C21H20ClN5O3 MolecularWeight: 425.8682

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)Cl)[N+](=O)[O-])C(=O)CC3=CC=C(C=C3)N4C=CC=N4

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)Cl)[N+](=O)[O-])C(=O)CC3=CC=C(C=C3)N4C=CC=N4

InChI

InChI=1S/C21H20ClN5O3/c22-17-4-7-19(20(15-17)27(29)30)24-10-12-25(13-11-24)21(28)14-16-2-5-18(6-3-16)26-9-1-8-23-26/h1-9,15H,10-14H2