4-[2-[2-(2-methylpyrrolidin-1-yl)ethyl]-3-pyridin-3-yl-1-benzofuran-5-yl]benzenecarbonitrile

Systemtic Name: 4-[2-[2-(2-methylpyrrolidin-1-yl)ethyl]-3-pyridin-3-yl-1-benzofuran-5-yl]benzenecarbonitrile Openeye Name: 4-[2-[2-(2-methylpyrrolidin-1-yl)ethyl]-3-(3-pyridyl)benzofuran-5-yl]benzonitrile CAS Name: 4-[2-[2-(2-methyl-1-pyrrolidinyl)ethyl]-3-(3-pyridinyl)-5-benzofuranyl]benzonitrile IUPAC Name: 4-[2-[2-(2-methylpyrrolidin-1-yl)ethyl]-3-pyridin-3-yl-1-benzofuran-5-yl]benzonitrile Traditional Name: 4-[2-[2-(2-methylpyrrolidino)ethyl]-3-(3-pyridyl)benzofuran-5-yl]benzonitrile Formula: C27H25N3O MolecularWeight: 407.5069

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN1CCC2=C(C3=C(O2)C=CC(=C3)C4=CC=C(C=C4)C#N)C5=CN=CC=C5

Isomeric SMILES

CC1CCCN1CCC2=C(C3=C(O2)C=CC(=C3)C4=CC=C(C=C4)C#N)C5=CN=CC=C5

InChI

InChI=1S/C27H25N3O/c1-19-4-3-14-30(19)15-12-26-27(23-5-2-13-29-18-23)24-16-22(10-11-25(24)31-26)21-8-6-20(17-28)7-9-21/h2,5-11,13,16,18-19H,3-4,12,14-15H2,1H3