1-[4-(6-methylpyridin-3-yl)but-1-en-3-yn-2-yl]-4-(3-nitropyridin-2-yl)piperazine

Systemtic Name: 1-[4-(6-methylpyridin-3-yl)but-1-en-3-yn-2-yl]-4-(3-nitropyridin-2-yl)piperazine Openeye Name: 1-[1-methylene-3-(6-methyl-3-pyridyl)prop-2-ynyl]-4-(3-nitro-2-pyridyl)piperazine CAS Name: 1-[4-(6-methyl-3-pyridinyl)but-1-en-3-yn-2-yl]-4-(3-nitro-2-pyridinyl)piperazine IUPAC Name: 1-[4-(6-methylpyridin-3-yl)but-1-en-3-yn-2-yl]-4-(3-nitropyridin-2-yl)piperazine Traditional Name: 1-[1-methylene-3-(6-methyl-3-pyridyl)prop-2-ynyl]-4-(3-nitro-2-pyridyl)piperazine Formula: C19H19N5O2 MolecularWeight: 349.38646

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19N5O2/c1-15-5-7-17(14-21-15)8-6-16(2)22-10-12-23(13-11-22)19-18(24(25)26)4-3-9-20-19/h3-5,7,9,14H,2,10-13H2,1H3