[5-(3,4-dimethylphenyl)-2-(4-nitrophenyl)pyrazol-3-yl]-morpholin-4-yl-methanone

Systemtic Name: [5-(3,4-dimethylphenyl)-2-(4-nitrophenyl)pyrazol-3-yl]-morpholin-4-yl-methanone Openeye Name: [5-(3,4-dimethylphenyl)-2-(4-nitrophenyl)pyrazol-3-yl]-morpholino-methanone CAS Name: [5-(3,4-dimethylphenyl)-2-(4-nitrophenyl)-3-pyrazolyl]-(4-morpholinyl)methanone IUPAC Name: [5-(3,4-dimethylphenyl)-2-(4-nitrophenyl)pyrazol-3-yl]-morpholin-4-ylmethanone Traditional Name: [5-(3,4-dimethylphenyl)-2-(4-nitrophenyl)pyrazol-3-yl]-morpholino-methanone Formula: C22H22N4O4 MolecularWeight: 406.43448

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NN(C(=C2)C(=O)N3CCOCC3)C4=CC=C(C=C4)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN(C(=C2)C(=O)N3CCOCC3)C4=CC=C(C=C4)[N+](=O)[O-])C

InChI

InChI=1S/C22H22N4O4/c1-15-3-4-17(13-16(15)2)20-14-21(22(27)24-9-11-30-12-10-24)25(23-20)18-5-7-19(8-6-18)26(28)29/h3-8,13-14H,9-12H2,1-2H3