2-azanyl-5-[2-(butan-2-ylamino)-1-oxidanyl-ethyl]benzenecarbonitrile

Systemtic Name: 2-azanyl-5-[2-(butan-2-ylamino)-1-oxidanyl-ethyl]benzenecarbonitrile Openeye Name: 2-amino-5-[1-hydroxy-2-(sec-butylamino)ethyl]benzonitrile CAS Name: 2-amino-5-[2-(butan-2-ylamino)-1-hydroxyethyl]benzonitrile IUPAC Name: 2-amino-5-[2-(butan-2-ylamino)-1-hydroxyethyl]benzonitrile Traditional Name: 2-amino-5-[1-hydroxy-2-(sec-butylamino)ethyl]benzonitrile Formula: C13H19N3O MolecularWeight: 233.30946

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19N3O/c1-3-9(2)16-8-13(17)10-4-5-12(15)11(6-10)7-14/h4-6,9,13,16-17H,3,8,15H2,1-2H3