3-[(4-bromanyl-3-nitro-pyrazol-1-yl)methyl]-N-[(4-phenylcyclohexylidene)amino]benzamide

Systemtic Name: 3-[(4-bromanyl-3-nitro-pyrazol-1-yl)methyl]-N-[(4-phenylcyclohexylidene)amino]benzamide Openeye Name: 3-[(4-bromo-3-nitro-pyrazol-1-yl)methyl]-N-[(4-phenylcyclohexylidene)amino]benzamide CAS Name: 3-[(4-bromo-3-nitro-1-pyrazolyl)methyl]-N-[(4-phenylcyclohexylidene)amino]benzamide IUPAC Name: 3-[(4-bromo-3-nitropyrazol-1-yl)methyl]-N-[(4-phenylcyclohexylidene)amino]benzamide Traditional Name: 3-[(4-bromo-3-nitro-pyrazol-1-yl)methyl]-N-[(4-phenylcyclohexylidene)amino]benzamide Formula: C23H22BrN5O3 MolecularWeight: 496.35648

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(=NNC(=O)C2=CC(=CC=C2)CN3C=C(C(=N3)[N+](=O)[O-])Br)CCC1C4=CC=CC=C4

Isomeric SMILES

C1CC(=NNC(=O)C2=CC(=CC=C2)CN3C=C(C(=N3)[N+](=O)[O-])Br)CCC1C4=CC=CC=C4

InChI

InChI=1S/C23H22BrN5O3/c24-21-15-28(27-22(21)29(31)32)14-16-5-4-8-19(13-16)23(30)26-25-20-11-9-18(10-12-20)17-6-2-1-3-7-17/h1-8,13,15,18H,9-12,14H2,(H,26,30)