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

Systemtic Name: 1-[4-[4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-3-nitro-phenyl]ethanone Openeye Name: 1-[4-[4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-1-piperidyl]-3-nitro-phenyl]ethanone CAS Name: 1-[4-[4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-1-piperidinyl]-3-nitrophenyl]ethanone IUPAC Name: 1-[4-[4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-3-nitrophenyl]ethanone Traditional Name: 1-[4-[4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]piperidino]-3-nitro-phenyl]ethanone Formula: C22H21ClN4O3 MolecularWeight: 424.88014

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21ClN4O3/c1-14(28)17-4-7-21(22(12-17)27(29)30)26-10-8-16(9-11-26)20-13-19(24-25-20)15-2-5-18(23)6-3-15/h2-7,12-13,16H,8-11H2,1H3,(H,24,25)