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

Systemtic Name: 4-cyano-N-[2-[4-[(2R)-3-oxidanyl-2,3-dihydro-1,4-benzodioxin-2-yl]piperazin-1-yl]propyl]-N-pyridin-2-yl-benzamide Openeye Name: 4-cyano-N-[2-[4-[(2R)-3-hydroxy-2,3-dihydro-1,4-benzodioxin-2-yl]piperazin-1-yl]propyl]-N-(2-pyridyl)benzamide CAS Name: 4-cyano-N-[2-[4-[(2R)-3-hydroxy-2,3-dihydro-1,4-benzodioxin-2-yl]-1-piperazinyl]propyl]-N-(2-pyridinyl)benzamide IUPAC Name: 4-cyano-N-[2-[4-[(2R)-3-hydroxy-2,3-dihydro-1,4-benzodioxin-2-yl]piperazin-1-yl]propyl]-N-pyridin-2-ylbenzamide Traditional Name: 4-cyano-N-[2-[4-[(2R)-3-hydroxy-2,3-dihydro-1,4-benzodioxin-2-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)C4C(OC5=CC=CC=C5O4)O

Isomeric SMILES

CC(CN(C1=CC=CC=N1)C(=O)C2=CC=C(C=C2)C#N)N3CCN(CC3)[C@H]4C(OC5=CC=CC=C5O4)O

InChI

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