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

Systemtic Name: 1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-2-(4-nitropyrazol-1-yl)butan-1-one Openeye Name: 1-[4-(m-tolylmethyl)piperazin-1-yl]-2-(4-nitropyrazol-1-yl)butan-1-one CAS Name: 1-[4-[(3-methylphenyl)methyl]-1-piperazinyl]-2-(4-nitro-1-pyrazolyl)-1-butanone IUPAC Name: 1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-2-(4-nitropyrazol-1-yl)butan-1-one Traditional Name: 1-[4-(3-methylbenzyl)piperazino]-2-(4-nitropyrazol-1-yl)butan-1-one Formula: C19H25N5O3 MolecularWeight: 371.4335

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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