1-[2,5-dimethyl-4-(3-nitropyridin-2-yl)piperazin-1-yl]-3-phenyl-prop-2-yn-1-one

Systemtic Name: 1-[2,5-dimethyl-4-(3-nitropyridin-2-yl)piperazin-1-yl]-3-phenyl-prop-2-yn-1-one Openeye Name: 1-[2,5-dimethyl-4-(3-nitro-2-pyridyl)piperazin-1-yl]-3-phenyl-prop-2-yn-1-one CAS Name: 1-[2,5-dimethyl-4-(3-nitro-2-pyridinyl)-1-piperazinyl]-3-phenyl-2-propyn-1-one IUPAC Name: 1-[2,5-dimethyl-4-(3-nitropyridin-2-yl)piperazin-1-yl]-3-phenylprop-2-yn-1-one Traditional Name: 1-[2,5-dimethyl-4-(3-nitro-2-pyridyl)piperazino]-3-phenyl-prop-2-yn-1-one Formula: C20H20N4O3 MolecularWeight: 364.3978

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(C(CN1C(=O)C#CC2=CC=CC=C2)C)C3=C(C=CC=N3)[N+](=O)[O-]

Isomeric SMILES

CC1CN(C(CN1C(=O)C#CC2=CC=CC=C2)C)C3=C(C=CC=N3)[N+](=O)[O-]

InChI

InChI=1S/C20H20N4O3/c1-15-14-23(20-18(24(26)27)9-6-12-21-20)16(2)13-22(15)19(25)11-10-17-7-4-3-5-8-17/h3-9,12,15-16H,13-14H2,1-2H3