1-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-4-(1-phenyl-1,2,3,4-tetrazol-5-yl)piperazine

Systemtic Name: 1-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-4-(1-phenyl-1,2,3,4-tetrazol-5-yl)piperazine Openeye Name: 1-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-4-(1-phenyltetrazol-5-yl)piperazine CAS Name: 1-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-4-(1-phenyl-5-tetrazolyl)piperazine IUPAC Name: 1-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-4-(1-phenyltetrazol-5-yl)piperazine Traditional Name: 1-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-4-(1-phenyltetrazol-5-yl)piperazine Formula: C17H21N9O2 MolecularWeight: 383.40774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CN2CCN(CC2)C3=NN=NN3C4=CC=CC=C4)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CN2CCN(CC2)C3=NN=NN3C4=CC=CC=C4)C)[N+](=O)[O-]

InChI

InChI=1S/C17H21N9O2/c1-13-16(26(27)28)14(2)24(19-13)12-22-8-10-23(11-9-22)17-18-20-21-25(17)15-6-4-3-5-7-15/h3-7H,8-12H2,1-2H3