[5-(3-methoxyphenyl)-2-(4-nitrophenyl)pyrazol-3-yl]-piperidin-1-yl-methanone

Systemtic Name: [5-(3-methoxyphenyl)-2-(4-nitrophenyl)pyrazol-3-yl]-piperidin-1-yl-methanone Openeye Name: [5-(3-methoxyphenyl)-2-(4-nitrophenyl)pyrazol-3-yl]-(1-piperidyl)methanone CAS Name: [5-(3-methoxyphenyl)-2-(4-nitrophenyl)-3-pyrazolyl]-(1-piperidinyl)methanone IUPAC Name: [5-(3-methoxyphenyl)-2-(4-nitrophenyl)pyrazol-3-yl]-piperidin-1-ylmethanone Traditional Name: [5-(3-methoxyphenyl)-2-(4-nitrophenyl)pyrazol-3-yl]-piperidino-methanone Formula: C22H22N4O4 MolecularWeight: 406.43448

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NN(C(=C2)C(=O)N3CCCCC3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC(=C1)C2=NN(C(=C2)C(=O)N3CCCCC3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H22N4O4/c1-30-19-7-5-6-16(14-19)20-15-21(22(27)24-12-3-2-4-13-24)25(23-20)17-8-10-18(11-9-17)26(28)29/h5-11,14-15H,2-4,12-13H2,1H3