[4-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]piperazin-1-yl]-(4-nitrophenyl)methanone

Systemtic Name: [4-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]piperazin-1-yl]-(4-nitrophenyl)methanone Openeye Name: [4-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]piperazin-1-yl]-(4-nitrophenyl)methanone CAS Name: [4-[(1-ethyl-3-methyl-4-pyrazolyl)methyl]-1-piperazinyl]-(4-nitrophenyl)methanone IUPAC Name: [4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]-(4-nitrophenyl)methanone Traditional Name: [4-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]piperazino]-(4-nitrophenyl)methanone Formula: C18H23N5O3 MolecularWeight: 357.40692

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C)CN2CCN(CC2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCN1C=C(C(=N1)C)CN2CCN(CC2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H23N5O3/c1-3-22-13-16(14(2)19-22)12-20-8-10-21(11-9-20)18(24)15-4-6-17(7-5-15)23(25)26/h4-7,13H,3,8-12H2,1-2H3