1-[2-[[3-(1,3-benzodioxol-5-yl)-1-phenyl-pyrazol-4-yl]methylamino]ethyl]piperidin-2-one

Systemtic Name: 1-[2-[[3-(1,3-benzodioxol-5-yl)-1-phenyl-pyrazol-4-yl]methylamino]ethyl]piperidin-2-one Openeye Name: 1-[2-[[3-(1,3-benzodioxol-5-yl)-1-phenyl-pyrazol-4-yl]methylamino]ethyl]piperidin-2-one CAS Name: 1-[2-[[3-(1,3-benzodioxol-5-yl)-1-phenyl-4-pyrazolyl]methylamino]ethyl]-2-piperidinone IUPAC Name: 1-[2-[[3-(1,3-benzodioxol-5-yl)-1-phenylpyrazol-4-yl]methylamino]ethyl]piperidin-2-one Traditional Name: 1-[2-[[3-(1,3-benzodioxol-5-yl)-1-phenyl-pyrazol-4-yl]methylamino]ethyl]-2-piperidone Formula: C24H26N4O3 MolecularWeight: 418.48824

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(=O)C1)CCNCC2=CN(N=C2C3=CC4=C(C=C3)OCO4)C5=CC=CC=C5

Isomeric SMILES

C1CCN(C(=O)C1)CCNCC2=CN(N=C2C3=CC4=C(C=C3)OCO4)C5=CC=CC=C5

InChI

InChI=1S/C24H26N4O3/c29-23-8-4-5-12-27(23)13-11-25-15-19-16-28(20-6-2-1-3-7-20)26-24(19)18-9-10-21-22(14-18)31-17-30-21/h1-3,6-7,9-10,14,16,25H,4-5,8,11-13,15,17H2