(1,5-dimethyl-4-nitro-pyrazol-3-yl)-[4-(phenylmethyl)piperazin-1-yl]methanone

Systemtic Name: (1,5-dimethyl-4-nitro-pyrazol-3-yl)-[4-(phenylmethyl)piperazin-1-yl]methanone Openeye Name: (4-benzylpiperazin-1-yl)-(1,5-dimethyl-4-nitro-pyrazol-3-yl)methanone CAS Name: (1,5-dimethyl-4-nitro-3-pyrazolyl)-[4-(phenylmethyl)-1-piperazinyl]methanone IUPAC Name: (4-benzylpiperazin-1-yl)-(1,5-dimethyl-4-nitropyrazol-3-yl)methanone Traditional Name: (4-benzylpiperazino)-(1,5-dimethyl-4-nitro-pyrazol-3-yl)methanone Formula: C17H21N5O3 MolecularWeight: 343.38034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C(=O)N2CCN(CC2)CC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1C)C(=O)N2CCN(CC2)CC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H21N5O3/c1-13-16(22(24)25)15(18-19(13)2)17(23)21-10-8-20(9-11-21)12-14-6-4-3-5-7-14/h3-7H,8-12H2,1-2H3