5-[[6-oxidanyl-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1-benzothiophen-3-yl]methyl]-2-(pyrrolidin-1-ylmethyl)benzenecarbonitrile

Systemtic Name: 5-[[6-oxidanyl-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1-benzothiophen-3-yl]methyl]-2-(pyrrolidin-1-ylmethyl)benzenecarbonitrile Openeye Name: 5-[[6-hydroxy-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]benzothiophen-3-yl]methyl]-2-(pyrrolidin-1-ylmethyl)benzonitrile CAS Name: 5-[[6-hydroxy-2-[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]-1-benzothiophen-3-yl]methyl]-2-(1-pyrrolidinylmethyl)benzonitrile IUPAC Name: 5-[[6-hydroxy-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1-benzothiophen-3-yl]methyl]-2-(pyrrolidin-1-ylmethyl)benzonitrile Traditional Name: 5-[[6-hydroxy-2-[4-(2-pyrrolidinoethoxy)phenyl]benzothiophen-3-yl]methyl]-2-(pyrrolidinomethyl)benzonitrile Formula: C33H35N3O2S MolecularWeight: 537.7149

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCOC2=CC=C(C=C2)C3=C(C4=C(S3)C=C(C=C4)O)CC5=CC(=C(C=C5)CN6CCCC6)C#N

Isomeric SMILES

C1CCN(C1)CCOC2=CC=C(C=C2)C3=C(C4=C(S3)C=C(C=C4)O)CC5=CC(=C(C=C5)CN6CCCC6)C#N

InChI

InChI=1S/C33H35N3O2S/c34-22-27-19-24(5-6-26(27)23-36-15-3-4-16-36)20-31-30-12-9-28(37)21-32(30)39-33(31)25-7-10-29(11-8-25)38-18-17-35-13-1-2-14-35/h5-12,19,21,37H,1-4,13-18,20,23H2