4-[4-[3-[3-(dimethylamino)pyrrolidin-1-yl]propoxy]-3-iodanyl-phenyl]benzenecarbonitrile

Systemtic Name: 4-[4-[3-[3-(dimethylamino)pyrrolidin-1-yl]propoxy]-3-iodanyl-phenyl]benzenecarbonitrile Openeye Name: 4-[4-[3-[3-(dimethylamino)pyrrolidin-1-yl]propoxy]-3-iodo-phenyl]benzonitrile CAS Name: 4-[4-[3-[3-(dimethylamino)-1-pyrrolidinyl]propoxy]-3-iodophenyl]benzonitrile IUPAC Name: 4-[4-[3-[3-(dimethylamino)pyrrolidin-1-yl]propoxy]-3-iodophenyl]benzonitrile Traditional Name: 4-[4-[3-[3-(dimethylamino)pyrrolidino]propoxy]-3-iodo-phenyl]benzonitrile Formula: C22H26IN3O MolecularWeight: 475.36581

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1CCN(C1)CCCOC2=C(C=C(C=C2)C3=CC=C(C=C3)C#N)I

Isomeric SMILES

CN(C)C1CCN(C1)CCCOC2=C(C=C(C=C2)C3=CC=C(C=C3)C#N)I

InChI

InChI=1S/C22H26IN3O/c1-25(2)20-10-12-26(16-20)11-3-13-27-22-9-8-19(14-21(22)23)18-6-4-17(15-24)5-7-18/h4-9,14,20H,3,10-13,16H2,1-2H3