1-(3-nitropyridin-2-yl)-4-(4-phenylbut-3-yn-2-yl)piperazine

Systemtic Name: 1-(3-nitropyridin-2-yl)-4-(4-phenylbut-3-yn-2-yl)piperazine Openeye Name: 1-(1-methyl-3-phenyl-prop-2-ynyl)-4-(3-nitro-2-pyridyl)piperazine CAS Name: 1-(3-nitro-2-pyridinyl)-4-(4-phenylbut-3-yn-2-yl)piperazine IUPAC Name: 1-(3-nitropyridin-2-yl)-4-(4-phenylbut-3-yn-2-yl)piperazine Traditional Name: 1-(1-methyl-3-phenyl-prop-2-ynyl)-4-(3-nitro-2-pyridyl)piperazine Formula: C19H20N4O2 MolecularWeight: 336.3877

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N4O2/c1-16(9-10-17-6-3-2-4-7-17)21-12-14-22(15-13-21)19-18(23(24)25)8-5-11-20-19/h2-8,11,16H,12-15H2,1H3