3-(1-adamantyl)-N-[3-(morpholin-4-ylmethyl)phenyl]-1-phenyl-pyrazole-4-carboxamide

Systemtic Name: 3-(1-adamantyl)-N-[3-(morpholin-4-ylmethyl)phenyl]-1-phenyl-pyrazole-4-carboxamide Openeye Name: 3-(1-adamantyl)-N-[3-(morpholinomethyl)phenyl]-1-phenyl-pyrazole-4-carboxamide CAS Name: 3-(1-adamantyl)-N-[3-(4-morpholinylmethyl)phenyl]-1-phenyl-4-pyrazolecarboxamide IUPAC Name: 3-(1-adamantyl)-N-[3-(morpholin-4-ylmethyl)phenyl]-1-phenylpyrazole-4-carboxamide Traditional Name: 3-(1-adamantyl)-N-[3-(morpholinomethyl)phenyl]-1-phenyl-pyrazole-4-carboxamide Formula: C31H36N4O2 MolecularWeight: 496.64314

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CC2=CC(=CC=C2)NC(=O)C3=CN(N=C3C45CC6CC(C4)CC(C6)C5)C7=CC=CC=C7

Isomeric SMILES

C1COCCN1CC2=CC(=CC=C2)NC(=O)C3=CN(N=C3C45CC6CC(C4)CC(C6)C5)C7=CC=CC=C7

InChI

InChI=1S/C31H36N4O2/c36-30(32-26-6-4-5-22(16-26)20-34-9-11-37-12-10-34)28-21-35(27-7-2-1-3-8-27)33-29(28)31-17-23-13-24(18-31)15-25(14-23)19-31/h1-8,16,21,23-25H,9-15,17-20H2,(H,32,36)