(2R)-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one

Systemtic Name: (2R)-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one Openeye Name: (2R)-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one CAS Name: (2R)-2-(3,5-dimethyl-4-nitro-1-pyrazolyl)-1-(4-phenyl-1-piperazinyl)-1-propanone IUPAC Name: (2R)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one Traditional Name: (2R)-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-1-(4-phenylpiperazino)propan-1-one Formula: C18H23N5O3 MolecularWeight: 357.40692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C(C)C(=O)N2CCN(CC2)C3=CC=CC=C3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1[C@H](C)C(=O)N2CCN(CC2)C3=CC=CC=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C18H23N5O3/c1-13-17(23(25)26)14(2)22(19-13)15(3)18(24)21-11-9-20(10-12-21)16-7-5-4-6-8-16/h4-8,15H,9-12H2,1-3H3/t15-/m1/s1