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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23Cl2N5O3/c1-13(11-25-14(2)9-18(22-25)26(28)29)19(27)24-7-5-23(6-8-24)12-15-3-4-16(20)17(21)10-15/h3-4,9-10,13H,5-8,11-12H2,1-2H3