[5-methyl-1-[2-(4-nitrophenyl)ethyl]-1,2,3-triazol-4-yl]-piperazin-1-yl-methanone

Systemtic Name: [5-methyl-1-[2-(4-nitrophenyl)ethyl]-1,2,3-triazol-4-yl]-piperazin-1-yl-methanone Openeye Name: [5-methyl-1-[2-(4-nitrophenyl)ethyl]triazol-4-yl]-piperazin-1-yl-methanone CAS Name: [5-methyl-1-[2-(4-nitrophenyl)ethyl]-4-triazolyl]-(1-piperazinyl)methanone IUPAC Name: [5-methyl-1-[2-(4-nitrophenyl)ethyl]triazol-4-yl]-piperazin-1-ylmethanone Traditional Name: [5-methyl-1-[2-(4-nitrophenyl)ethyl]triazol-4-yl]-piperazino-methanone Formula: C16H20N6O3 MolecularWeight: 344.3684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=NN1CCC2=CC=C(C=C2)[N+](=O)[O-])C(=O)N3CCNCC3

Isomeric SMILES

CC1=C(N=NN1CCC2=CC=C(C=C2)[N+](=O)[O-])C(=O)N3CCNCC3

InChI

InChI=1S/C16H20N6O3/c1-12-15(16(23)20-10-7-17-8-11-20)18-19-21(12)9-6-13-2-4-14(5-3-13)22(24)25/h2-5,17H,6-11H2,1H3