2-[3-(tert-butylamino)-2-oxidanyl-propoxy]-5-pyrrol-1-yl-pyridine-3-carbonitrile

Systemtic Name: 2-[3-(tert-butylamino)-2-oxidanyl-propoxy]-5-pyrrol-1-yl-pyridine-3-carbonitrile Openeye Name: 2-[3-(tert-butylamino)-2-hydroxy-propoxy]-5-pyrrol-1-yl-pyridine-3-carbonitrile CAS Name: 2-[3-(tert-butylamino)-2-hydroxypropoxy]-5-(1-pyrrolyl)-3-pyridinecarbonitrile IUPAC Name: 2-[3-(tert-butylamino)-2-hydroxypropoxy]-5-pyrrol-1-ylpyridine-3-carbonitrile Traditional Name: 2-[3-(tert-butylamino)-2-hydroxy-propoxy]-5-pyrrol-1-yl-nicotinonitrile Formula: C17H22N4O2 MolecularWeight: 314.38218

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NCC(COC1=NC=C(C=C1C#N)N2C=CC=C2)O

Isomeric SMILES

CC(C)(C)NCC(COC1=NC=C(C=C1C#N)N2C=CC=C2)O

InChI

InChI=1S/C17H22N4O2/c1-17(2,3)20-11-15(22)12-23-16-13(9-18)8-14(10-19-16)21-6-4-5-7-21/h4-8,10,15,20,22H,11-12H2,1-3H3