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

Systemtic Name: 1-[4-(4-tert-butylphenyl)but-1-en-3-yn-2-yl]-4-(3-nitropyridin-2-yl)piperazine Openeye Name: 1-[3-(4-tert-butylphenyl)-1-methylene-prop-2-ynyl]-4-(3-nitro-2-pyridyl)piperazine CAS Name: 1-[4-(4-tert-butylphenyl)but-1-en-3-yn-2-yl]-4-(3-nitro-2-pyridinyl)piperazine IUPAC Name: 1-[4-(4-tert-butylphenyl)but-1-en-3-yn-2-yl]-4-(3-nitropyridin-2-yl)piperazine Traditional Name: 1-[3-(4-tert-butylphenyl)-1-methylene-prop-2-ynyl]-4-(3-nitro-2-pyridyl)piperazine Formula: C23H26N4O2 MolecularWeight: 390.47814

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N4O2/c1-18(7-8-19-9-11-20(12-10-19)23(2,3)4)25-14-16-26(17-15-25)22-21(27(28)29)6-5-13-24-22/h5-6,9-13H,1,14-17H2,2-4H3