1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2-methyl-3-(5-methyl-3-nitro-pyrazol-1-yl)propan-1-one

Systemtic Name: 1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2-methyl-3-(5-methyl-3-nitro-pyrazol-1-yl)propan-1-one Openeye Name: 1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2-methyl-3-(5-methyl-3-nitro-pyrazol-1-yl)propan-1-one CAS Name: 1-[4-[(3-chlorophenyl)methyl]-1-piperazinyl]-2-methyl-3-(5-methyl-3-nitro-1-pyrazolyl)-1-propanone IUPAC Name: 1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2-methyl-3-(5-methyl-3-nitropyrazol-1-yl)propan-1-one Traditional Name: 1-[4-(3-chlorobenzyl)piperazino]-2-methyl-3-(5-methyl-3-nitro-pyrazol-1-yl)propan-1-one Formula: C19H24ClN5O3 MolecularWeight: 405.87856

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CC(C)C(=O)N2CCN(CC2)CC3=CC(=CC=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=NN1CC(C)C(=O)N2CCN(CC2)CC3=CC(=CC=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C19H24ClN5O3/c1-14(12-24-15(2)10-18(21-24)25(27)28)19(26)23-8-6-22(7-9-23)13-16-4-3-5-17(20)11-16/h3-5,10-11,14H,6-9,12-13H2,1-2H3