N-[2-[1-(2-adamantyl)piperidin-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[2-[1-(2-adamantyl)piperidin-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[2-[1-(2-adamantyl)-4-piperidyl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[2-[1-(2-adamantyl)-4-piperidinyl]-3-pyrazolyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[2-[1-(2-adamantyl)piperidin-4-yl]pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[2-[1-(2-adamantyl)-4-piperidyl]pyrazol-3-yl]-piperonylamide Formula: C26H32N4O3 MolecularWeight: 448.55728

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2C(=CC=N2)NC(=O)C3=CC4=C(C=C3)OCO4)C5C6CC7CC(C6)CC5C7

Isomeric SMILES

C1CN(CCC1N2C(=CC=N2)NC(=O)C3=CC4=C(C=C3)OCO4)C5C6CC7CC(C6)CC5C7

InChI

InChI=1S/C26H32N4O3/c31-26(18-1-2-22-23(14-18)33-15-32-22)28-24-3-6-27-30(24)21-4-7-29(8-5-21)25-19-10-16-9-17(12-19)13-20(25)11-16/h1-3,6,14,16-17,19-21,25H,4-5,7-13,15H2,(H,28,31)