2-methyl-1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-2-(4-nitropyrazol-1-yl)propan-1-one

Systemtic Name: 2-methyl-1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-2-(4-nitropyrazol-1-yl)propan-1-one Openeye Name: 2-methyl-2-(4-nitropyrazol-1-yl)-1-[4-(o-tolylmethyl)piperazin-1-yl]propan-1-one CAS Name: 2-methyl-1-[4-[(2-methylphenyl)methyl]-1-piperazinyl]-2-(4-nitro-1-pyrazolyl)-1-propanone IUPAC Name: 2-methyl-1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-2-(4-nitropyrazol-1-yl)propan-1-one Traditional Name: 2-methyl-1-[4-(2-methylbenzyl)piperazino]-2-(4-nitropyrazol-1-yl)propan-1-one Formula: C19H25N5O3 MolecularWeight: 371.4335

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2CCN(CC2)C(=O)C(C)(C)N3C=C(C=N3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1CN2CCN(CC2)C(=O)C(C)(C)N3C=C(C=N3)[N+](=O)[O-]

InChI

InChI=1S/C19H25N5O3/c1-15-6-4-5-7-16(15)13-21-8-10-22(11-9-21)18(25)19(2,3)23-14-17(12-20-23)24(26)27/h4-7,12,14H,8-11,13H2,1-3H3