[5-(2,4-dimethoxyphenyl)-2-(3-nitrophenyl)pyrazol-3-yl]-pyrrolidin-1-yl-methanone

Systemtic Name: [5-(2,4-dimethoxyphenyl)-2-(3-nitrophenyl)pyrazol-3-yl]-pyrrolidin-1-yl-methanone Openeye Name: [5-(2,4-dimethoxyphenyl)-2-(3-nitrophenyl)pyrazol-3-yl]-pyrrolidin-1-yl-methanone CAS Name: [5-(2,4-dimethoxyphenyl)-2-(3-nitrophenyl)-3-pyrazolyl]-(1-pyrrolidinyl)methanone IUPAC Name: [5-(2,4-dimethoxyphenyl)-2-(3-nitrophenyl)pyrazol-3-yl]-pyrrolidin-1-ylmethanone Traditional Name: [5-(2,4-dimethoxyphenyl)-2-(3-nitrophenyl)pyrazol-3-yl]-pyrrolidino-methanone Formula: C22H22N4O5 MolecularWeight: 422.43388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2=NN(C(=C2)C(=O)N3CCCC3)C4=CC(=CC=C4)[N+](=O)[O-])OC

Isomeric SMILES

COC1=CC(=C(C=C1)C2=NN(C(=C2)C(=O)N3CCCC3)C4=CC(=CC=C4)[N+](=O)[O-])OC

InChI

InChI=1S/C22H22N4O5/c1-30-17-8-9-18(21(13-17)31-2)19-14-20(22(27)24-10-3-4-11-24)25(23-19)15-6-5-7-16(12-15)26(28)29/h5-9,12-14H,3-4,10-11H2,1-2H3