1-[4-(2-methylphenyl)but-1-en-3-yn-2-yl]-4-(3-nitropyridin-2-yl)piperazine

Systemtic Name: 1-[4-(2-methylphenyl)but-1-en-3-yn-2-yl]-4-(3-nitropyridin-2-yl)piperazine Openeye Name: 1-[1-methylene-3-(o-tolyl)prop-2-ynyl]-4-(3-nitro-2-pyridyl)piperazine CAS Name: 1-[4-(2-methylphenyl)but-1-en-3-yn-2-yl]-4-(3-nitro-2-pyridinyl)piperazine IUPAC Name: 1-[4-(2-methylphenyl)but-1-en-3-yn-2-yl]-4-(3-nitropyridin-2-yl)piperazine Traditional Name: 1-[1-methylene-3-(o-tolyl)prop-2-ynyl]-4-(3-nitro-2-pyridyl)piperazine Formula: C20H20N4O2 MolecularWeight: 348.3984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C#CC(=C)N2CCN(CC2)C3=C(C=CC=N3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1C#CC(=C)N2CCN(CC2)C3=C(C=CC=N3)[N+](=O)[O-]

InChI

InChI=1S/C20H20N4O2/c1-16-6-3-4-7-18(16)10-9-17(2)22-12-14-23(15-13-22)20-19(24(25)26)8-5-11-21-20/h3-8,11H,2,12-15H2,1H3