[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-(2-methyl-4-nitro-pyrazol-3-yl)methanone

Systemtic Name: [4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-(2-methyl-4-nitro-pyrazol-3-yl)methanone Openeye Name: [4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-(2-methyl-4-nitro-pyrazol-3-yl)methanone CAS Name: [4-[(3-methoxyphenyl)methyl]-1-piperazinyl]-(2-methyl-4-nitro-3-pyrazolyl)methanone IUPAC Name: [4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-(2-methyl-4-nitropyrazol-3-yl)methanone Traditional Name: (4-m-anisylpiperazino)-(2-methyl-4-nitro-pyrazol-3-yl)methanone Formula: C17H21N5O4 MolecularWeight: 359.37974

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C=N1)[N+](=O)[O-])C(=O)N2CCN(CC2)CC3=CC(=CC=C3)OC

Isomeric SMILES

CN1C(=C(C=N1)[N+](=O)[O-])C(=O)N2CCN(CC2)CC3=CC(=CC=C3)OC

InChI

InChI=1S/C17H21N5O4/c1-19-16(15(11-18-19)22(24)25)17(23)21-8-6-20(7-9-21)12-13-4-3-5-14(10-13)26-2/h3-5,10-11H,6-9,12H2,1-2H3