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

Systemtic Name: 1-[4-(3-methylphenyl)but-1-en-3-yn-2-yl]-4-(3-nitropyridin-2-yl)piperazine Openeye Name: 1-[1-methylene-3-(m-tolyl)prop-2-ynyl]-4-(3-nitro-2-pyridyl)piperazine CAS Name: 1-[4-(3-methylphenyl)but-1-en-3-yn-2-yl]-4-(3-nitro-2-pyridinyl)piperazine IUPAC Name: 1-[4-(3-methylphenyl)but-1-en-3-yn-2-yl]-4-(3-nitropyridin-2-yl)piperazine Traditional Name: 1-[1-methylene-3-(m-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(=C1)C#CC(=C)N2CCN(CC2)C3=C(C=CC=N3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC(=C1)C#CC(=C)N2CCN(CC2)C3=C(C=CC=N3)[N+](=O)[O-]

InChI

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