3-(1,3-benzodioxol-5-yl)-1-[4-(4-phenethyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-1-[4-(4-phenethyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one Openeye Name: 3-(1,3-benzodioxol-5-yl)-1-[4-(4-phenethyl-1H-pyrazol-5-yl)-1-piperidyl]propan-1-one CAS Name: 3-(1,3-benzodioxol-5-yl)-1-[4-(4-phenethyl-1H-pyrazol-5-yl)-1-piperidinyl]-1-propanone IUPAC Name: 3-(1,3-benzodioxol-5-yl)-1-[4-(4-phenethyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one Traditional Name: 3-(1,3-benzodioxol-5-yl)-1-[4-(4-phenethyl-1H-pyrazol-5-yl)piperidino]propan-1-one Formula: C26H29N3O3 MolecularWeight: 431.52676

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=C(C=NN2)CCC3=CC=CC=C3)C(=O)CCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CN(CCC1C2=C(C=NN2)CCC3=CC=CC=C3)C(=O)CCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C26H29N3O3/c30-25(11-8-20-7-10-23-24(16-20)32-18-31-23)29-14-12-21(13-15-29)26-22(17-27-28-26)9-6-19-4-2-1-3-5-19/h1-5,7,10,16-17,21H,6,8-9,11-15,18H2,(H,27,28)