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

Systemtic Name: 1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-2-methyl-propan-1-one Openeye Name: 1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-2-methyl-propan-1-one CAS Name: 1-[4-[(3-chlorophenyl)methyl]-1-piperazinyl]-3-(3,5-dimethyl-4-nitro-1-pyrazolyl)-2-methyl-1-propanone IUPAC Name: 1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-3-(3,5-dimethyl-4-nitropyrazol-1-yl)-2-methylpropan-1-one Traditional Name: 1-[4-(3-chlorobenzyl)piperazino]-3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-2-methyl-propan-1-one Formula: C20H26ClN5O3 MolecularWeight: 419.90514

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26ClN5O3/c1-14(12-25-16(3)19(26(28)29)15(2)22-25)20(27)24-9-7-23(8-10-24)13-17-5-4-6-18(21)11-17/h4-6,11,14H,7-10,12-13H2,1-3H3