1-[3-nitro-4-[4-(3-thiophen-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]phenyl]ethanone

Systemtic Name: 1-[3-nitro-4-[4-(3-thiophen-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]phenyl]ethanone Openeye Name: 1-[3-nitro-4-[4-[3-(2-thienyl)-1H-pyrazol-5-yl]-1-piperidyl]phenyl]ethanone CAS Name: 1-[3-nitro-4-[4-(3-thiophen-2-yl-1H-pyrazol-5-yl)-1-piperidinyl]phenyl]ethanone IUPAC Name: 1-[3-nitro-4-[4-(3-thiophen-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]phenyl]ethanone Traditional Name: 1-[3-nitro-4-[4-[3-(2-thienyl)-1H-pyrazol-5-yl]piperidino]phenyl]ethanone Formula: C20H20N4O3S MolecularWeight: 396.4628

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)N2CCC(CC2)C3=CC(=NN3)C4=CC=CS4)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)N2CCC(CC2)C3=CC(=NN3)C4=CC=CS4)[N+](=O)[O-]

InChI

InChI=1S/C20H20N4O3S/c1-13(25)15-4-5-18(19(11-15)24(26)27)23-8-6-14(7-9-23)16-12-17(22-21-16)20-3-2-10-28-20/h2-5,10-12,14H,6-9H2,1H3,(H,21,22)