1-[4-(5-chloranyl-2-methoxy-phenyl)but-1-en-3-yn-2-yl]-4-(3-nitropyridin-2-yl)piperazine

Systemtic Name: 1-[4-(5-chloranyl-2-methoxy-phenyl)but-1-en-3-yn-2-yl]-4-(3-nitropyridin-2-yl)piperazine Openeye Name: 1-[3-(5-chloro-2-methoxy-phenyl)-1-methylene-prop-2-ynyl]-4-(3-nitro-2-pyridyl)piperazine CAS Name: 1-[4-(5-chloro-2-methoxyphenyl)but-1-en-3-yn-2-yl]-4-(3-nitro-2-pyridinyl)piperazine IUPAC Name: 1-[4-(5-chloro-2-methoxyphenyl)but-1-en-3-yn-2-yl]-4-(3-nitropyridin-2-yl)piperazine Traditional Name: 1-[3-(5-chloro-2-methoxy-phenyl)-1-methylene-prop-2-ynyl]-4-(3-nitro-2-pyridyl)piperazine Formula: C20H19ClN4O3 MolecularWeight: 398.84286

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)C#CC(=C)N2CCN(CC2)C3=C(C=CC=N3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)C#CC(=C)N2CCN(CC2)C3=C(C=CC=N3)[N+](=O)[O-]

InChI

InChI=1S/C20H19ClN4O3/c1-15(5-6-16-14-17(21)7-8-19(16)28-2)23-10-12-24(13-11-23)20-18(25(26)27)4-3-9-22-20/h3-4,7-9,14H,1,10-13H2,2H3