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

Systemtic Name: [4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]phenyl]-(4-phenylpiperazin-1-yl)methanone Openeye Name: [4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]phenyl]-(4-phenylpiperazin-1-yl)methanone CAS Name: [4-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]phenyl]-(4-phenyl-1-piperazinyl)methanone IUPAC Name: [4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]phenyl]-(4-phenylpiperazin-1-yl)methanone Traditional Name: [4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]phenyl]-(4-phenylpiperazino)methanone Formula: C23H25N5O3 MolecularWeight: 419.4763

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)N3CCN(CC3)C4=CC=CC=C4)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)N3CCN(CC3)C4=CC=CC=C4)C)[N+](=O)[O-]

InChI

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