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

Systemtic Name: 1-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-3-(3-methoxy-4-nitro-pyrazol-1-yl)propan-1-one Openeye Name: 1-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-3-(3-methoxy-4-nitro-pyrazol-1-yl)propan-1-one CAS Name: 1-[4-[(3,4-dichlorophenyl)methyl]-1-piperazinyl]-3-(3-methoxy-4-nitro-1-pyrazolyl)-1-propanone IUPAC Name: 1-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-3-(3-methoxy-4-nitropyrazol-1-yl)propan-1-one Traditional Name: 1-[4-(3,4-dichlorobenzyl)piperazino]-3-(3-methoxy-4-nitro-pyrazol-1-yl)propan-1-one Formula: C18H21Cl2N5O4 MolecularWeight: 442.29644

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NN(C=C1[N+](=O)[O-])CCC(=O)N2CCN(CC2)CC3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

COC1=NN(C=C1[N+](=O)[O-])CCC(=O)N2CCN(CC2)CC3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C18H21Cl2N5O4/c1-29-18-16(25(27)28)12-24(21-18)5-4-17(26)23-8-6-22(7-9-23)11-13-2-3-14(19)15(20)10-13/h2-3,10,12H,4-9,11H2,1H3