4-chloranyl-2-(1-phenyl-4-pyrrolidin-1-yl-butoxy)benzenecarbonitrile

Systemtic Name: 4-chloranyl-2-(1-phenyl-4-pyrrolidin-1-yl-butoxy)benzenecarbonitrile Openeye Name: 4-chloro-2-(1-phenyl-4-pyrrolidin-1-yl-butoxy)benzonitrile CAS Name: 4-chloro-2-[1-phenyl-4-(1-pyrrolidinyl)butoxy]benzonitrile IUPAC Name: 4-chloro-2-(1-phenyl-4-pyrrolidin-1-ylbutoxy)benzonitrile Traditional Name: 4-chloro-2-(1-phenyl-4-pyrrolidino-butoxy)benzonitrile Formula: C21H23ClN2O MolecularWeight: 354.87312

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCCC(C2=CC=CC=C2)OC3=C(C=CC(=C3)Cl)C#N

Isomeric SMILES

C1CCN(C1)CCCC(C2=CC=CC=C2)OC3=C(C=CC(=C3)Cl)C#N

InChI

InChI=1S/C21H23ClN2O/c22-19-11-10-18(16-23)21(15-19)25-20(17-7-2-1-3-8-17)9-6-14-24-12-4-5-13-24/h1-3,7-8,10-11,15,20H,4-6,9,12-14H2