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

Systemtic Name: N-[[2-(diethylaminomethyl)phenyl]methyl]-4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzamide Openeye Name: N-[[2-(diethylaminomethyl)phenyl]methyl]-4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzamide CAS Name: N-[[2-(diethylaminomethyl)phenyl]methyl]-4-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]benzamide IUPAC Name: N-[[2-(diethylaminomethyl)phenyl]methyl]-4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]benzamide Traditional Name: N-[2-(diethylaminomethyl)benzyl]-4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzamide Formula: C25H31N5O3 MolecularWeight: 449.54534

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC1=CC=CC=C1CNC(=O)C2=CC=C(C=C2)CN3C(=C(C(=N3)C)[N+](=O)[O-])C

Isomeric SMILES

CCN(CC)CC1=CC=CC=C1CNC(=O)C2=CC=C(C=C2)CN3C(=C(C(=N3)C)[N+](=O)[O-])C

InChI

InChI=1S/C25H31N5O3/c1-5-28(6-2)17-23-10-8-7-9-22(23)15-26-25(31)21-13-11-20(12-14-21)16-29-19(4)24(30(32)33)18(3)27-29/h7-14H,5-6,15-17H2,1-4H3,(H,26,31)