[4-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]piperazin-1-yl]-(4-nitrophenyl)methanone

Systemtic Name: [4-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]piperazin-1-yl]-(4-nitrophenyl)methanone Openeye Name: [4-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]piperazin-1-yl]-(4-nitrophenyl)methanone CAS Name: [4-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)methyl]-1-piperazinyl]-(4-nitrophenyl)methanone IUPAC Name: [4-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]piperazin-1-yl]-(4-nitrophenyl)methanone Traditional Name: [4-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]piperazino]-(4-nitrophenyl)methanone Formula: C23H25N5O3 MolecularWeight: 419.4763

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)CN3CCN(CC3)C(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)CN3CCN(CC3)C(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H25N5O3/c1-17-22(18(2)27(24-17)20-6-4-3-5-7-20)16-25-12-14-26(15-13-25)23(29)19-8-10-21(11-9-19)28(30)31/h3-11H,12-16H2,1-2H3