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

Systemtic Name: N-[[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]methyl]-4-morpholin-4-yl-3-nitro-benzamide Openeye Name: N-[(1-benzyl-3,5-dimethyl-pyrazol-4-yl)methyl]-4-morpholino-3-nitro-benzamide CAS Name: N-[[3,5-dimethyl-1-(phenylmethyl)-4-pyrazolyl]methyl]-4-(4-morpholinyl)-3-nitrobenzamide IUPAC Name: N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-4-morpholin-4-yl-3-nitrobenzamide Traditional Name: N-[(1-benzyl-3,5-dimethyl-pyrazol-4-yl)methyl]-4-morpholino-3-nitro-benzamide Formula: C24H27N5O4 MolecularWeight: 449.50228

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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)N4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2)C)CNC(=O)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C24H27N5O4/c1-17-21(18(2)28(26-17)16-19-6-4-3-5-7-19)15-25-24(30)20-8-9-22(23(14-20)29(31)32)27-10-12-33-13-11-27/h3-9,14H,10-13,15-16H2,1-2H3,(H,25,30)