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

Systemtic Name: N-[[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]methyl]-4-(2-methoxyethylamino)-3-nitro-benzamide Openeye Name: N-[(1-benzyl-3,5-dimethyl-pyrazol-4-yl)methyl]-4-(2-methoxyethylamino)-3-nitro-benzamide CAS Name: N-[[3,5-dimethyl-1-(phenylmethyl)-4-pyrazolyl]methyl]-4-(2-methoxyethylamino)-3-nitrobenzamide IUPAC Name: N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-4-(2-methoxyethylamino)-3-nitrobenzamide Traditional Name: N-[(1-benzyl-3,5-dimethyl-pyrazol-4-yl)methyl]-4-(2-methoxyethylamino)-3-nitro-benzamide Formula: C23H27N5O4 MolecularWeight: 437.49158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2)C)CNC(=O)C3=CC(=C(C=C3)NCCOC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2)C)CNC(=O)C3=CC(=C(C=C3)NCCOC)[N+](=O)[O-]

InChI

InChI=1S/C23H27N5O4/c1-16-20(17(2)27(26-16)15-18-7-5-4-6-8-18)14-25-23(29)19-9-10-21(24-11-12-32-3)22(13-19)28(30)31/h4-10,13,24H,11-12,14-15H2,1-3H3,(H,25,29)