4-azanyl-N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-nitro-benzamide

Systemtic Name: 4-azanyl-N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-nitro-benzamide Openeye Name: 4-amino-N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-nitro-benzamide CAS Name: 4-amino-N-[(1,3-diphenyl-4-pyrazolyl)methyl]-3-nitrobenzamide IUPAC Name: 4-amino-N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-nitrobenzamide Traditional Name: 4-amino-N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-nitro-benzamide Formula: C23H19N5O3 MolecularWeight: 413.42866

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C=C2CNC(=O)C3=CC(=C(C=C3)N)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C=C2CNC(=O)C3=CC(=C(C=C3)N)[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C23H19N5O3/c24-20-12-11-17(13-21(20)28(30)31)23(29)25-14-18-15-27(19-9-5-2-6-10-19)26-22(18)16-7-3-1-4-8-16/h1-13,15H,14,24H2,(H,25,29)