N-(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)-1-(5-cyanopyridin-2-yl)piperidine-4-carboxamide

Systemtic Name: N-(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)-1-(5-cyanopyridin-2-yl)piperidine-4-carboxamide Openeye Name: N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-1-(5-cyano-2-pyridyl)piperidine-4-carboxamide CAS Name: N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-1-(5-cyano-2-pyridinyl)-4-piperidinecarboxamide IUPAC Name: N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-1-(5-cyanopyridin-2-yl)piperidine-4-carboxamide Traditional Name: N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-1-(5-cyano-2-pyridyl)isonipecotamide Formula: C20H19BrN4O3 MolecularWeight: 443.29386

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=CC3=C(C=C2Br)OCCO3)C4=NC=C(C=C4)C#N

Isomeric SMILES

C1CN(CCC1C(=O)NC2=CC3=C(C=C2Br)OCCO3)C4=NC=C(C=C4)C#N

InChI

InChI=1S/C20H19BrN4O3/c21-15-9-17-18(28-8-7-27-17)10-16(15)24-20(26)14-3-5-25(6-4-14)19-2-1-13(11-22)12-23-19/h1-2,9-10,12,14H,3-8H2,(H,24,26)