4-morpholin-4-yl-3-nitro-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide

Systemtic Name: 4-morpholin-4-yl-3-nitro-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide Openeye Name: 4-morpholino-3-nitro-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide CAS Name: 4-(4-morpholinyl)-3-nitro-N-[[2-(1-pyrazolylmethyl)phenyl]methyl]benzamide IUPAC Name: 4-morpholin-4-yl-3-nitro-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide Traditional Name: 4-morpholino-3-nitro-N-[2-(pyrazol-1-ylmethyl)benzyl]benzamide Formula: C22H23N5O4 MolecularWeight: 421.44912

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)C(=O)NCC3=CC=CC=C3CN4C=CC=N4)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)C(=O)NCC3=CC=CC=C3CN4C=CC=N4)[N+](=O)[O-]

InChI

InChI=1S/C22H23N5O4/c28-22(23-15-18-4-1-2-5-19(18)16-26-9-3-8-24-26)17-6-7-20(21(14-17)27(29)30)25-10-12-31-13-11-25/h1-9,14H,10-13,15-16H2,(H,23,28)