(4-methylpiperazin-1-yl)-[4-[(3-nitro-1,2,4-triazol-1-yl)methyl]phenyl]methanone

Systemtic Name: (4-methylpiperazin-1-yl)-[4-[(3-nitro-1,2,4-triazol-1-yl)methyl]phenyl]methanone Openeye Name: (4-methylpiperazin-1-yl)-[4-[(3-nitro-1,2,4-triazol-1-yl)methyl]phenyl]methanone CAS Name: (4-methyl-1-piperazinyl)-[4-[(3-nitro-1,2,4-triazol-1-yl)methyl]phenyl]methanone IUPAC Name: (4-methylpiperazin-1-yl)-[4-[(3-nitro-1,2,4-triazol-1-yl)methyl]phenyl]methanone Traditional Name: (4-methylpiperazino)-[4-[(3-nitro-1,2,4-triazol-1-yl)methyl]phenyl]methanone Formula: C15H18N6O3 MolecularWeight: 330.34182

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)C2=CC=C(C=C2)CN3C=NC(=N3)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)C(=O)C2=CC=C(C=C2)CN3C=NC(=N3)[N+](=O)[O-]

InChI

InChI=1S/C15H18N6O3/c1-18-6-8-19(9-7-18)14(22)13-4-2-12(3-5-13)10-20-11-16-15(17-20)21(23)24/h2-5,11H,6-10H2,1H3