3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-N-(4-methyl-3-nitro-phenyl)pyrazole-4-carboxamide

Systemtic Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-N-(4-methyl-3-nitro-phenyl)pyrazole-4-carboxamide Openeye Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-N-(4-methyl-3-nitro-phenyl)pyrazole-4-carboxamide CAS Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-N-(4-methyl-3-nitrophenyl)-4-pyrazolecarboxamide IUPAC Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-N-(4-methyl-3-nitrophenyl)pyrazole-4-carboxamide Traditional Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-N-(4-methyl-3-nitro-phenyl)pyrazole-4-carboxamide Formula: C21H20N4O5 MolecularWeight: 408.4073

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CN(N=C2C3=CC4=C(C=C3)OCCCO4)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CN(N=C2C3=CC4=C(C=C3)OCCCO4)C)[N+](=O)[O-]

InChI

InChI=1S/C21H20N4O5/c1-13-4-6-15(11-17(13)25(27)28)22-21(26)16-12-24(2)23-20(16)14-5-7-18-19(10-14)30-9-3-8-29-18/h4-7,10-12H,3,8-9H2,1-2H3,(H,22,26)