1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)piperidin-1-yl]-3-(1-phenylpyrazol-4-yl)propan-1-one

Systemtic Name: 1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)piperidin-1-yl]-3-(1-phenylpyrazol-4-yl)propan-1-one Openeye Name: 1-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-1-piperidyl]-3-(1-phenylpyrazol-4-yl)propan-1-one CAS Name: 1-[4-[2,3-dihydro-1,4-benzodioxin-6-yl(oxo)methyl]-1-piperidinyl]-3-(1-phenyl-4-pyrazolyl)-1-propanone IUPAC Name: 1-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-yl]-3-(1-phenylpyrazol-4-yl)propan-1-one Traditional Name: 1-[4-(2,3-dihydro-1,4-benzodioxin-6-carbonyl)piperidino]-3-(1-phenylpyrazol-4-yl)propan-1-one Formula: C26H27N3O4 MolecularWeight: 445.51028

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)C2=CC3=C(C=C2)OCCO3)C(=O)CCC4=CN(N=C4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCC1C(=O)C2=CC3=C(C=C2)OCCO3)C(=O)CCC4=CN(N=C4)C5=CC=CC=C5

InChI

InChI=1S/C26H27N3O4/c30-25(9-6-19-17-27-29(18-19)22-4-2-1-3-5-22)28-12-10-20(11-13-28)26(31)21-7-8-23-24(16-21)33-15-14-32-23/h1-5,7-8,16-18,20H,6,9-15H2