1-(4-methyl-3-nitro-pyridin-2-yl)-4-(4-phenylbut-1-en-3-yn-2-yl)piperazine

Systemtic Name: 1-(4-methyl-3-nitro-pyridin-2-yl)-4-(4-phenylbut-1-en-3-yn-2-yl)piperazine Openeye Name: 1-(1-methylene-3-phenyl-prop-2-ynyl)-4-(4-methyl-3-nitro-2-pyridyl)piperazine CAS Name: 1-(4-methyl-3-nitro-2-pyridinyl)-4-(4-phenylbut-1-en-3-yn-2-yl)piperazine IUPAC Name: 1-(4-methyl-3-nitropyridin-2-yl)-4-(4-phenylbut-1-en-3-yn-2-yl)piperazine Traditional Name: 1-(1-methylene-3-phenyl-prop-2-ynyl)-4-(4-methyl-3-nitro-2-pyridyl)piperazine Formula: C20H20N4O2 MolecularWeight: 348.3984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC=C1)N2CCN(CC2)C(=C)C#CC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NC=C1)N2CCN(CC2)C(=C)C#CC3=CC=CC=C3)[N+](=O)[O-]

InChI

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