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

Systemtic Name: 1-[4-(2,4-dimethoxyphenyl)but-1-en-3-yn-2-yl]-4-(3-nitropyridin-2-yl)piperazine Openeye Name: 1-[3-(2,4-dimethoxyphenyl)-1-methylene-prop-2-ynyl]-4-(3-nitro-2-pyridyl)piperazine CAS Name: 1-[4-(2,4-dimethoxyphenyl)but-1-en-3-yn-2-yl]-4-(3-nitro-2-pyridinyl)piperazine IUPAC Name: 1-[4-(2,4-dimethoxyphenyl)but-1-en-3-yn-2-yl]-4-(3-nitropyridin-2-yl)piperazine Traditional Name: 1-[3-(2,4-dimethoxyphenyl)-1-methylene-prop-2-ynyl]-4-(3-nitro-2-pyridyl)piperazine Formula: C21H22N4O4 MolecularWeight: 394.42378

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O4/c1-16(6-7-17-8-9-18(28-2)15-20(17)29-3)23-11-13-24(14-12-23)21-19(25(26)27)5-4-10-22-21/h4-5,8-10,15H,1,11-14H2,2-3H3