1-[5-[bis(chloranyl)methyl]-4-nitro-2-phenyl-pyrazol-3-yl]-4-(phenylmethyl)piperazine

Systemtic Name: 1-[5-[bis(chloranyl)methyl]-4-nitro-2-phenyl-pyrazol-3-yl]-4-(phenylmethyl)piperazine Openeye Name: 1-benzyl-4-[5-(dichloromethyl)-4-nitro-2-phenyl-pyrazol-3-yl]piperazine CAS Name: 1-[5-(dichloromethyl)-4-nitro-2-phenyl-3-pyrazolyl]-4-(phenylmethyl)piperazine IUPAC Name: 1-benzyl-4-[5-(dichloromethyl)-4-nitro-2-phenylpyrazol-3-yl]piperazine Traditional Name: 1-benzyl-4-[5-(dichloromethyl)-4-nitro-2-phenyl-pyrazol-3-yl]piperazine Formula: C21H21Cl2N5O2 MolecularWeight: 446.32974

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C3=C(C(=NN3C4=CC=CC=C4)C(Cl)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C3=C(C(=NN3C4=CC=CC=C4)C(Cl)Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H21Cl2N5O2/c22-20(23)18-19(28(29)30)21(27(24-18)17-9-5-2-6-10-17)26-13-11-25(12-14-26)15-16-7-3-1-4-8-16/h1-10,20H,11-15H2