2-chloranyl-6-[2-oxidanyl-3-(4-phenylbutylamino)propoxy]benzenecarbonitrile hydrochloride

Systemtic Name: 2-chloranyl-6-[2-oxidanyl-3-(4-phenylbutylamino)propoxy]benzenecarbonitrile hydrochloride Openeye Name: 2-chloro-6-[2-hydroxy-3-(4-phenylbutylamino)propoxy]benzonitrile hydrochloride CAS Name: 2-chloro-6-[2-hydroxy-3-(4-phenylbutylamino)propoxy]benzonitrile hydrochloride IUPAC Name: 2-chloro-6-[2-hydroxy-3-(4-phenylbutylamino)propoxy]benzonitrile hydrochloride Traditional Name: 2-chloro-6-[2-hydroxy-3-(4-phenylbutylamino)propoxy]benzonitrile hydrochloride Formula: C20H24Cl2N2O2 MolecularWeight: 395.32276

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCNCC(COC2=C(C(=CC=C2)Cl)C#N)O.Cl

Isomeric SMILES

C1=CC=C(C=C1)CCCCNCC(COC2=C(C(=CC=C2)Cl)C#N)O.Cl

InChI

InChI=1S/C20H23ClN2O2.ClH/c21-19-10-6-11-20(18(19)13-22)25-15-17(24)14-23-12-5-4-9-16-7-2-1-3-8-16;/h1-3,6-8,10-11,17,23-24H,4-5,9,12,14-15H2;1H