4-[3-(tert-butylamino)-2-oxidanyl-propoxy]-3-iodanyl-1H-indole-2-carbonitrile

Systemtic Name: 4-[3-(tert-butylamino)-2-oxidanyl-propoxy]-3-iodanyl-1H-indole-2-carbonitrile Openeye Name: 4-[3-(tert-butylamino)-2-hydroxy-propoxy]-3-iodo-1H-indole-2-carbonitrile CAS Name: 4-[3-(tert-butylamino)-2-hydroxypropoxy]-3-iodo-1H-indole-2-carbonitrile IUPAC Name: 4-[3-(tert-butylamino)-2-hydroxypropoxy]-3-iodo-1H-indole-2-carbonitrile Traditional Name: 4-[3-(tert-butylamino)-2-hydroxy-propoxy]-3-iodo-1H-indole-2-carbonitrile Formula: C16H20IN3O2 MolecularWeight: 413.25337

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NCC(COC1=CC=CC2=C1C(=C(N2)C#N)I)O

Isomeric SMILES

CC(C)(C)NCC(COC1=CC=CC2=C1C(=C(N2)C#N)I)O

InChI

InChI=1S/C16H20IN3O2/c1-16(2,3)19-8-10(21)9-22-13-6-4-5-11-14(13)15(17)12(7-18)20-11/h4-6,10,19-21H,8-9H2,1-3H3