4-[4-[3-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-1-benzothiophen-2-yl]phenoxy]butanenitrile

Systemtic Name: 4-[4-[3-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-1-benzothiophen-2-yl]phenoxy]butanenitrile Openeye Name: 4-[4-[3-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]benzothiophen-2-yl]phenoxy]butanenitrile CAS Name: 4-[4-[3-[[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]methyl]-1-benzothiophen-2-yl]phenoxy]butanenitrile IUPAC Name: 4-[4-[3-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-1-benzothiophen-2-yl]phenoxy]butanenitrile Traditional Name: 4-[4-[3-[4-(2-pyrrolidinoethoxy)benzyl]benzothiophen-2-yl]phenoxy]butyronitrile Formula: C31H32N2O2S MolecularWeight: 496.66298

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCOC2=CC=C(C=C2)CC3=C(SC4=CC=CC=C43)C5=CC=C(C=C5)OCCCC#N

Isomeric SMILES

C1CCN(C1)CCOC2=CC=C(C=C2)CC3=C(SC4=CC=CC=C43)C5=CC=C(C=C5)OCCCC#N

InChI

InChI=1S/C31H32N2O2S/c32-17-3-6-21-34-27-15-11-25(12-16-27)31-29(28-7-1-2-8-30(28)36-31)23-24-9-13-26(14-10-24)35-22-20-33-18-4-5-19-33/h1-2,7-16H,3-6,18-23H2