4-bromanyl-3-nitro-N-[4-(piperidin-1-ylmethyl)phenyl]-1H-pyrazole-5-carboxamide

Systemtic Name: 4-bromanyl-3-nitro-N-[4-(piperidin-1-ylmethyl)phenyl]-1H-pyrazole-5-carboxamide Openeye Name: 4-bromo-3-nitro-N-[4-(1-piperidylmethyl)phenyl]-1H-pyrazole-5-carboxamide CAS Name: 4-bromo-3-nitro-N-[4-(1-piperidinylmethyl)phenyl]-1H-pyrazole-5-carboxamide IUPAC Name: 4-bromo-3-nitro-N-[4-(piperidin-1-ylmethyl)phenyl]-1H-pyrazole-5-carboxamide Traditional Name: 4-bromo-3-nitro-N-[4-(piperidinomethyl)phenyl]-1H-pyrazole-5-carboxamide Formula: C16H18BrN5O3 MolecularWeight: 408.24982

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC2=CC=C(C=C2)NC(=O)C3=C(C(=NN3)[N+](=O)[O-])Br

Isomeric SMILES

C1CCN(CC1)CC2=CC=C(C=C2)NC(=O)C3=C(C(=NN3)[N+](=O)[O-])Br

InChI

InChI=1S/C16H18BrN5O3/c17-13-14(19-20-15(13)22(24)25)16(23)18-12-6-4-11(5-7-12)10-21-8-2-1-3-9-21/h4-7H,1-3,8-10H2,(H,18,23)(H,19,20)