3-[4-(2-azanylethyl)piperazin-1-yl]-6-[(2-nitrophenyl)methyl]-2H-1,2,4-triazin-5-one

Systemtic Name: 3-[4-(2-azanylethyl)piperazin-1-yl]-6-[(2-nitrophenyl)methyl]-2H-1,2,4-triazin-5-one Openeye Name: 3-[4-(2-aminoethyl)piperazin-1-yl]-6-[(2-nitrophenyl)methyl]-2H-1,2,4-triazin-5-one CAS Name: 3-[4-(2-aminoethyl)-1-piperazinyl]-6-[(2-nitrophenyl)methyl]-2H-1,2,4-triazin-5-one IUPAC Name: 3-[4-(2-aminoethyl)piperazin-1-yl]-6-[(2-nitrophenyl)methyl]-2H-1,2,4-triazin-5-one Traditional Name: 3-[4-(2-aminoethyl)piperazino]-6-(2-nitrobenzyl)-2H-1,2,4-triazin-5-one Formula: C16H21N7O3 MolecularWeight: 359.38304

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCN)C2=NC(=O)C(=NN2)CC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CCN)C2=NC(=O)C(=NN2)CC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C16H21N7O3/c17-5-6-21-7-9-22(10-8-21)16-18-15(24)13(19-20-16)11-12-3-1-2-4-14(12)23(25)26/h1-4H,5-11,17H2,(H,18,20,24)