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

Systemtic Name: 2-azanyl-3-chloranyl-5-[1-oxidanyl-2-(propylamino)ethyl]benzenecarbonitrile hydrochloride Openeye Name: 2-amino-3-chloro-5-[1-hydroxy-2-(propylamino)ethyl]benzonitrile hydrochloride CAS Name: 2-amino-3-chloro-5-[1-hydroxy-2-(propylamino)ethyl]benzonitrile hydrochloride IUPAC Name: 2-amino-3-chloro-5-[1-hydroxy-2-(propylamino)ethyl]benzonitrile hydrochloride Traditional Name: 2-amino-3-chloro-5-[1-hydroxy-2-(propylamino)ethyl]benzonitrile hydrochloride Formula: C12H17Cl2N3O MolecularWeight: 290.18888

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCNCC(C1=CC(=C(C(=C1)C#N)N)Cl)O.Cl

Isomeric SMILES

CCCNCC(C1=CC(=C(C(=C1)C#N)N)Cl)O.Cl

InChI

InChI=1S/C12H16ClN3O.ClH/c1-2-3-16-7-11(17)8-4-9(6-14)12(15)10(13)5-8;/h4-5,11,16-17H,2-3,7,15H2,1H3;1H