3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-piperidin-1-ylcarbonyl-pyrazol-1-yl]propanenitrile

Systemtic Name: 3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-piperidin-1-ylcarbonyl-pyrazol-1-yl]propanenitrile Openeye Name: 3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(piperidine-1-carbonyl)pyrazol-1-yl]propanenitrile CAS Name: 3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[oxo(1-piperidinyl)methyl]-1-pyrazolyl]propanenitrile IUPAC Name: 3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(piperidine-1-carbonyl)pyrazol-1-yl]propanenitrile Traditional Name: 3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(piperidine-1-carbonyl)pyrazol-1-yl]propionitrile Formula: C20H22N4O3 MolecularWeight: 366.41368

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C2=CN(N=C2C3=CC4=C(C=C3)OCCO4)CCC#N

Isomeric SMILES

C1CCN(CC1)C(=O)C2=CN(N=C2C3=CC4=C(C=C3)OCCO4)CCC#N

InChI

InChI=1S/C20H22N4O3/c21-7-4-10-24-14-16(20(25)23-8-2-1-3-9-23)19(22-24)15-5-6-17-18(13-15)27-12-11-26-17/h5-6,13-14H,1-4,8-12H2