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

Systemtic Name: 1-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-2-(4-nitropyrazol-1-yl)butan-1-one Openeye Name: 1-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-2-(4-nitropyrazol-1-yl)butan-1-one CAS Name: 1-[4-[(3,4-dichlorophenyl)methyl]-1-piperazinyl]-2-(4-nitro-1-pyrazolyl)-1-butanone IUPAC Name: 1-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-2-(4-nitropyrazol-1-yl)butan-1-one Traditional Name: 1-[4-(3,4-dichlorobenzyl)piperazino]-2-(4-nitropyrazol-1-yl)butan-1-one Formula: C18H21Cl2N5O3 MolecularWeight: 426.29704

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21Cl2N5O3/c1-2-17(24-12-14(10-21-24)25(27)28)18(26)23-7-5-22(6-8-23)11-13-3-4-15(19)16(20)9-13/h3-4,9-10,12,17H,2,5-8,11H2,1H3