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

Systemtic Name: N-[4-[4-(2-pyrazol-1-ylethylamino)piperidin-1-yl]phenyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[4-[4-(2-pyrazol-1-ylethylamino)-1-piperidyl]phenyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[4-[4-[2-(1-pyrazolyl)ethylamino]-1-piperidinyl]phenyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[4-[4-(2-pyrazol-1-ylethylamino)piperidin-1-yl]phenyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[4-[4-(2-pyrazol-1-ylethylamino)piperidino]phenyl]-piperonylamide Formula: C24H27N5O3 MolecularWeight: 433.50288

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NCCN2C=CC=N2)C3=CC=C(C=C3)NC(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CN(CCC1NCCN2C=CC=N2)C3=CC=C(C=C3)NC(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C24H27N5O3/c30-24(18-2-7-22-23(16-18)32-17-31-22)27-20-3-5-21(6-4-20)28-13-8-19(9-14-28)25-11-15-29-12-1-10-26-29/h1-7,10,12,16,19,25H,8-9,11,13-15,17H2,(H,27,30)