4-[4-[6-methyl-3-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-1-benzothiophen-2-yl]phenoxy]butanenitrile

Systemtic Name: 4-[4-[6-methyl-3-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-1-benzothiophen-2-yl]phenoxy]butanenitrile Openeye Name: 4-[4-[6-methyl-3-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]benzothiophen-2-yl]phenoxy]butanenitrile CAS Name: 4-[4-[6-methyl-3-[[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]methyl]-1-benzothiophen-2-yl]phenoxy]butanenitrile IUPAC Name: 4-[4-[6-methyl-3-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-1-benzothiophen-2-yl]phenoxy]butanenitrile Traditional Name: 4-[4-[6-methyl-3-[4-(2-pyrrolidinoethoxy)benzyl]benzothiophen-2-yl]phenoxy]butyronitrile Formula: C32H34N2O2S MolecularWeight: 510.68956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=C(S2)C3=CC=C(C=C3)OCCCC#N)CC4=CC=C(C=C4)OCCN5CCCC5

Isomeric SMILES

CC1=CC2=C(C=C1)C(=C(S2)C3=CC=C(C=C3)OCCCC#N)CC4=CC=C(C=C4)OCCN5CCCC5

InChI

InChI=1S/C32H34N2O2S/c1-24-6-15-29-30(23-25-7-11-27(12-8-25)36-21-19-34-17-3-4-18-34)32(37-31(29)22-24)26-9-13-28(14-10-26)35-20-5-2-16-33/h6-15,22H,2-5,17-21,23H2,1H3