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

Systemtic Name: 1-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]-2-(5-methyl-3-nitro-pyrazol-1-yl)butan-1-one Openeye Name: 1-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]-2-(5-methyl-3-nitro-pyrazol-1-yl)butan-1-one CAS Name: 1-[4-[(2,4-dichlorophenyl)methyl]-1-piperazinyl]-2-(5-methyl-3-nitro-1-pyrazolyl)-1-butanone IUPAC Name: 1-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]-2-(5-methyl-3-nitropyrazol-1-yl)butan-1-one Traditional Name: 1-[4-(2,4-dichlorobenzyl)piperazino]-2-(5-methyl-3-nitro-pyrazol-1-yl)butan-1-one Formula: C19H23Cl2N5O3 MolecularWeight: 440.32362

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23Cl2N5O3/c1-3-17(25-13(2)10-18(22-25)26(28)29)19(27)24-8-6-23(7-9-24)12-14-4-5-15(20)11-16(14)21/h4-5,10-11,17H,3,6-9,12H2,1-2H3