2-azanyl-3-chloranyl-5-[2-(cyclopropylamino)-1-oxidanyl-ethyl]benzenecarbonitrile

Systemtic Name: 2-azanyl-3-chloranyl-5-[2-(cyclopropylamino)-1-oxidanyl-ethyl]benzenecarbonitrile Openeye Name: 2-amino-3-chloro-5-[2-(cyclopropylamino)-1-hydroxy-ethyl]benzonitrile CAS Name: 2-amino-3-chloro-5-[2-(cyclopropylamino)-1-hydroxyethyl]benzonitrile IUPAC Name: 2-amino-3-chloro-5-[2-(cyclopropylamino)-1-hydroxyethyl]benzonitrile Traditional Name: 2-amino-3-chloro-5-[2-(cyclopropylamino)-1-hydroxy-ethyl]benzonitrile Formula: C12H14ClN3O MolecularWeight: 251.71206

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NCC(C2=CC(=C(C(=C2)C#N)N)Cl)O

Isomeric SMILES

C1CC1NCC(C2=CC(=C(C(=C2)C#N)N)Cl)O

InChI

InChI=1S/C12H14ClN3O/c13-10-4-7(3-8(5-14)12(10)15)11(17)6-16-9-1-2-9/h3-4,9,11,16-17H,1-2,6,15H2