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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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