5-azanyl-2-[3-(tert-butylamino)-2-oxidanyl-propoxy]benzenecarbonitrile

Systemtic Name: 5-azanyl-2-[3-(tert-butylamino)-2-oxidanyl-propoxy]benzenecarbonitrile Openeye Name: 5-amino-2-[3-(tert-butylamino)-2-hydroxy-propoxy]benzonitrile CAS Name: 5-amino-2-[3-(tert-butylamino)-2-hydroxypropoxy]benzonitrile IUPAC Name: 5-amino-2-[3-(tert-butylamino)-2-hydroxypropoxy]benzonitrile Traditional Name: 5-amino-2-[3-(tert-butylamino)-2-hydroxy-propoxy]benzonitrile Formula: C14H21N3O2 MolecularWeight: 263.33544

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NCC(COC1=C(C=C(C=C1)N)C#N)O

Isomeric SMILES

CC(C)(C)NCC(COC1=C(C=C(C=C1)N)C#N)O

InChI

InChI=1S/C14H21N3O2/c1-14(2,3)17-8-12(18)9-19-13-5-4-11(16)6-10(13)7-15/h4-6,12,17-18H,8-9,16H2,1-3H3