4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-(3,4-dipropoxyphenyl)benzamide

Systemtic Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-(3,4-dipropoxyphenyl)benzamide Openeye Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-(3,4-dipropoxyphenyl)benzamide CAS Name: 4-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-N-(3,4-dipropoxyphenyl)benzamide IUPAC Name: 4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-(3,4-dipropoxyphenyl)benzamide Traditional Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-(3,4-dipropoxyphenyl)benzamide Formula: C25H30N4O5 MolecularWeight: 466.5295

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3C(=C(C(=N3)C)[N+](=O)[O-])C)OCCC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3C(=C(C(=N3)C)[N+](=O)[O-])C)OCCC

InChI

InChI=1S/C25H30N4O5/c1-5-13-33-22-12-11-21(15-23(22)34-14-6-2)26-25(30)20-9-7-19(8-10-20)16-28-18(4)24(29(31)32)17(3)27-28/h7-12,15H,5-6,13-14,16H2,1-4H3,(H,26,30)