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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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