N-[2-(3,4-diethoxyphenyl)ethyl]-4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzamide

Systemtic Name: N-[2-(3,4-diethoxyphenyl)ethyl]-4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzamide Openeye Name: N-[2-(3,4-diethoxyphenyl)ethyl]-4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzamide CAS Name: N-[2-(3,4-diethoxyphenyl)ethyl]-4-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]benzamide IUPAC Name: N-[2-(3,4-diethoxyphenyl)ethyl]-4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]benzamide Traditional Name: N-[2-(3,4-diethoxyphenyl)ethyl]-4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzamide Formula: C25H30N4O5 MolecularWeight: 466.5295

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CCNC(=O)C2=CC=C(C=C2)CN3C(=C(C(=N3)C)[N+](=O)[O-])C)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CCNC(=O)C2=CC=C(C=C2)CN3C(=C(C(=N3)C)[N+](=O)[O-])C)OCC

InChI

InChI=1S/C25H30N4O5/c1-5-33-22-12-9-19(15-23(22)34-6-2)13-14-26-25(30)21-10-7-20(8-11-21)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)