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

Systemtic Name: 2-[4-[3-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-1-benzothiophen-2-yl]phenyl]ethanenitrile Openeye Name: 2-[4-[3-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]benzothiophen-2-yl]phenyl]acetonitrile CAS Name: 2-[4-[3-[[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]methyl]-1-benzothiophen-2-yl]phenyl]acetonitrile IUPAC Name: 2-[4-[3-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-1-benzothiophen-2-yl]phenyl]acetonitrile Traditional Name: 2-[4-[3-[4-(2-pyrrolidinoethoxy)benzyl]benzothiophen-2-yl]phenyl]acetonitrile Formula: C29H28N2OS MolecularWeight: 452.61042

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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)CC#N

Isomeric SMILES

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

InChI

InChI=1S/C29H28N2OS/c30-16-15-22-7-11-24(12-8-22)29-27(26-5-1-2-6-28(26)33-29)21-23-9-13-25(14-10-23)32-20-19-31-17-3-4-18-31/h1-2,5-14H,3-4,15,17-21H2