4-cyano-N-[2-[4-[(2R)-2-oxidanyl-2,3-dihydro-1,4-benzodioxin-5-yl]piperazin-1-yl]propyl]-N-pyridin-2-yl-benzamide

Systemtic Name: 4-cyano-N-[2-[4-[(2R)-2-oxidanyl-2,3-dihydro-1,4-benzodioxin-5-yl]piperazin-1-yl]propyl]-N-pyridin-2-yl-benzamide Openeye Name: 4-cyano-N-[2-[4-[(2R)-2-hydroxy-2,3-dihydro-1,4-benzodioxin-5-yl]piperazin-1-yl]propyl]-N-(2-pyridyl)benzamide CAS Name: 4-cyano-N-[2-[4-[(2R)-2-hydroxy-2,3-dihydro-1,4-benzodioxin-5-yl]-1-piperazinyl]propyl]-N-(2-pyridinyl)benzamide IUPAC Name: 4-cyano-N-[2-[4-[(2R)-2-hydroxy-2,3-dihydro-1,4-benzodioxin-5-yl]piperazin-1-yl]propyl]-N-pyridin-2-ylbenzamide Traditional Name: 4-cyano-N-[2-[4-[(2R)-2-hydroxy-2,3-dihydro-1,4-benzodioxin-5-yl]piperazino]propyl]-N-(2-pyridyl)benzamide Formula: C28H29N5O4 MolecularWeight: 499.56096

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN(C1=CC=CC=N1)C(=O)C2=CC=C(C=C2)C#N)N3CCN(CC3)C4=C5C(=CC=C4)OC(CO5)O

Isomeric SMILES

CC(CN(C1=CC=CC=N1)C(=O)C2=CC=C(C=C2)C#N)N3CCN(CC3)C4=C5C(=CC=C4)O[C@H](CO5)O

InChI

InChI=1S/C28H29N5O4/c1-20(18-33(25-7-2-3-12-30-25)28(35)22-10-8-21(17-29)9-11-22)31-13-15-32(16-14-31)23-5-4-6-24-27(23)36-19-26(34)37-24/h2-12,20,26,34H,13-16,18-19H2,1H3/t20?,26-/m1/s1