2,3-dihydro-1,4-benzodioxin-6-yl-[4-(4-phenethyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone

Systemtic Name: 2,3-dihydro-1,4-benzodioxin-6-yl-[4-(4-phenethyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone Openeye Name: 2,3-dihydro-1,4-benzodioxin-6-yl-[4-(4-phenethyl-1H-pyrazol-5-yl)-1-piperidyl]methanone CAS Name: 2,3-dihydro-1,4-benzodioxin-6-yl-[4-(4-phenethyl-1H-pyrazol-5-yl)-1-piperidinyl]methanone IUPAC Name: 2,3-dihydro-1,4-benzodioxin-6-yl-[4-(4-phenethyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone Traditional Name: 2,3-dihydro-1,4-benzodioxin-6-yl-[4-(4-phenethyl-1H-pyrazol-5-yl)piperidino]methanone Formula: C25H27N3O3 MolecularWeight: 417.50018

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=C(C=NN2)CCC3=CC=CC=C3)C(=O)C4=CC5=C(C=C4)OCCO5

Isomeric SMILES

C1CN(CCC1C2=C(C=NN2)CCC3=CC=CC=C3)C(=O)C4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C25H27N3O3/c29-25(20-8-9-22-23(16-20)31-15-14-30-22)28-12-10-19(11-13-28)24-21(17-26-27-24)7-6-18-4-2-1-3-5-18/h1-5,8-9,16-17,19H,6-7,10-15H2,(H,26,27)