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

Systemtic Name: 4-chloranyl-2-[4-(3-oxidanylpropylamino)-1-phenyl-butoxy]benzenecarbonitrile Openeye Name: 4-chloro-2-[4-(3-hydroxypropylamino)-1-phenyl-butoxy]benzonitrile CAS Name: 4-chloro-2-[4-(3-hydroxypropylamino)-1-phenylbutoxy]benzonitrile IUPAC Name: 4-chloro-2-[4-(3-hydroxypropylamino)-1-phenylbutoxy]benzonitrile Traditional Name: 4-chloro-2-[4-(3-hydroxypropylamino)-1-phenyl-butoxy]benzonitrile Formula: C20H23ClN2O2 MolecularWeight: 358.86182

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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