(3-methoxyphenyl)-[4-[1-(3-nitrophenyl)pyrazol-3-yl]carbonylpiperazin-1-yl]methanone

Systemtic Name: (3-methoxyphenyl)-[4-[1-(3-nitrophenyl)pyrazol-3-yl]carbonylpiperazin-1-yl]methanone Openeye Name: (3-methoxyphenyl)-[4-[1-(3-nitrophenyl)pyrazole-3-carbonyl]piperazin-1-yl]methanone CAS Name: (3-methoxyphenyl)-[4-[[1-(3-nitrophenyl)-3-pyrazolyl]-oxomethyl]-1-piperazinyl]methanone IUPAC Name: (3-methoxyphenyl)-[4-[1-(3-nitrophenyl)pyrazole-3-carbonyl]piperazin-1-yl]methanone Traditional Name: (3-methoxyphenyl)-[4-[1-(3-nitrophenyl)pyrazole-3-carbonyl]piperazino]methanone Formula: C22H21N5O5 MolecularWeight: 435.43264

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)N2CCN(CC2)C(=O)C3=NN(C=C3)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)N2CCN(CC2)C(=O)C3=NN(C=C3)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H21N5O5/c1-32-19-7-2-4-16(14-19)21(28)24-10-12-25(13-11-24)22(29)20-8-9-26(23-20)17-5-3-6-18(15-17)27(30)31/h2-9,14-15H,10-13H2,1H3