(1-butyl-5-chloranyl-3-methyl-pyrazol-4-yl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone

Systemtic Name: (1-butyl-5-chloranyl-3-methyl-pyrazol-4-yl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone Openeye Name: (1-butyl-5-chloro-3-methyl-pyrazol-4-yl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone CAS Name: (1-butyl-5-chloro-3-methyl-4-pyrazolyl)-[4-(4-nitrophenyl)-1-piperazinyl]methanone IUPAC Name: (1-butyl-5-chloro-3-methylpyrazol-4-yl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone Traditional Name: (1-butyl-5-chloro-3-methyl-pyrazol-4-yl)-[4-(4-nitrophenyl)piperazino]methanone Formula: C19H24ClN5O3 MolecularWeight: 405.87856

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=N1)C)C(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CCCCN1C(=C(C(=N1)C)C(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C19H24ClN5O3/c1-3-4-9-24-18(20)17(14(2)21-24)19(26)23-12-10-22(11-13-23)15-5-7-16(8-6-15)25(27)28/h5-8H,3-4,9-13H2,1-2H3