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

Systemtic Name: 2-[4-[3-[4-(2-pyrrolidin-1-ylethoxy)phenyl]carbonyl-1-benzothiophen-2-yl]phenyl]ethanenitrile Openeye Name: 2-[4-[3-[4-(2-pyrrolidin-1-ylethoxy)benzoyl]benzothiophen-2-yl]phenyl]acetonitrile CAS Name: 2-[4-[3-[oxo-[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]methyl]-1-benzothiophen-2-yl]phenyl]acetonitrile IUPAC Name: 2-[4-[3-[4-(2-pyrrolidin-1-ylethoxy)benzoyl]-1-benzothiophen-2-yl]phenyl]acetonitrile Traditional Name: 2-[4-[3-[4-(2-pyrrolidinoethoxy)benzoyl]benzothiophen-2-yl]phenyl]acetonitrile Formula: C29H26N2O2S MolecularWeight: 466.59394

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCOC2=CC=C(C=C2)C(=O)C3=C(SC4=CC=CC=C43)C5=CC=C(C=C5)CC#N

Isomeric SMILES

C1CCN(C1)CCOC2=CC=C(C=C2)C(=O)C3=C(SC4=CC=CC=C43)C5=CC=C(C=C5)CC#N

InChI

InChI=1S/C29H26N2O2S/c30-16-15-21-7-9-23(10-8-21)29-27(25-5-1-2-6-26(25)34-29)28(32)22-11-13-24(14-12-22)33-20-19-31-17-3-4-18-31/h1-2,5-14H,3-4,15,17-20H2