4-chloranyl-2-[3-(3-oxidanylpropylamino)-1-phenyl-propoxy]benzenecarbonitrile

Systemtic Name: 4-chloranyl-2-[3-(3-oxidanylpropylamino)-1-phenyl-propoxy]benzenecarbonitrile Openeye Name: 4-chloro-2-[3-(3-hydroxypropylamino)-1-phenyl-propoxy]benzonitrile CAS Name: 4-chloro-2-[3-(3-hydroxypropylamino)-1-phenylpropoxy]benzonitrile IUPAC Name: 4-chloro-2-[3-(3-hydroxypropylamino)-1-phenylpropoxy]benzonitrile Traditional Name: 4-chloro-2-[3-(3-hydroxypropylamino)-1-phenyl-propoxy]benzonitrile Formula: C19H21ClN2O2 MolecularWeight: 344.83524

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CCNCCCO)OC2=C(C=CC(=C2)Cl)C#N

Isomeric SMILES

C1=CC=C(C=C1)C(CCNCCCO)OC2=C(C=CC(=C2)Cl)C#N

InChI

InChI=1S/C19H21ClN2O2/c20-17-8-7-16(14-21)19(13-17)24-18(9-11-22-10-4-12-23)15-5-2-1-3-6-15/h1-3,5-8,13,18,22-23H,4,9-12H2