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

Systemtic Name: 1-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-4-[(3-methylphenyl)methyl]piperazine Openeye Name: 1-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-4-(m-tolylmethyl)piperazine CAS Name: 1-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-4-[(3-methylphenyl)methyl]piperazine IUPAC Name: 1-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-4-[(3-methylphenyl)methyl]piperazine Traditional Name: 1-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-4-(3-methylbenzyl)piperazine Formula: C18H25N5O2 MolecularWeight: 343.4234

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2CCN(CC2)CN3C(=C(C(=N3)C)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=CC=C1)CN2CCN(CC2)CN3C(=C(C(=N3)C)[N+](=O)[O-])C

InChI

InChI=1S/C18H25N5O2/c1-14-5-4-6-17(11-14)12-20-7-9-21(10-8-20)13-22-16(3)18(23(24)25)15(2)19-22/h4-6,11H,7-10,12-13H2,1-3H3