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

Systemtic Name: 1-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-4-phenyl-piperazine Openeye Name: 1-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-4-phenyl-piperazine CAS Name: 1-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-4-phenylpiperazine IUPAC Name: 1-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-4-phenylpiperazine Traditional Name: 1-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-4-phenyl-piperazine Formula: C16H21N5O2 MolecularWeight: 315.37024

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CN2CCN(CC2)C3=CC=CC=C3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CN2CCN(CC2)C3=CC=CC=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C16H21N5O2/c1-13-16(21(22)23)14(2)20(17-13)12-18-8-10-19(11-9-18)15-6-4-3-5-7-15/h3-7H,8-12H2,1-2H3