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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N1CCN(CC1)CC2=CC(=CC=C2)Cl)N3C(=CC(=N3)[N+](=O)[O-])C

Isomeric SMILES

CCC(C(=O)N1CCN(CC1)CC2=CC(=CC=C2)Cl)N3C(=CC(=N3)[N+](=O)[O-])C

InChI

InChI=1S/C19H24ClN5O3/c1-3-17(24-14(2)11-18(21-24)25(27)28)19(26)23-9-7-22(8-10-23)13-15-5-4-6-16(20)12-15/h4-6,11-12,17H,3,7-10,13H2,1-2H3