2-[[3-methyl-4-[3-(pyridin-3-ylmethylamino)propoxy]-1-benzofuran-2-yl]methoxy]benzenecarbonitrile

Systemtic Name: 2-[[3-methyl-4-[3-(pyridin-3-ylmethylamino)propoxy]-1-benzofuran-2-yl]methoxy]benzenecarbonitrile Openeye Name: 2-[[3-methyl-4-[3-(3-pyridylmethylamino)propoxy]benzofuran-2-yl]methoxy]benzonitrile CAS Name: 2-[[3-methyl-4-[3-(3-pyridinylmethylamino)propoxy]-2-benzofuranyl]methoxy]benzonitrile IUPAC Name: 2-[[3-methyl-4-[3-(pyridin-3-ylmethylamino)propoxy]-1-benzofuran-2-yl]methoxy]benzonitrile Traditional Name: 2-[[3-methyl-4-[3-(3-pyridylmethylamino)propoxy]benzofuran-2-yl]methoxy]benzonitrile Formula: C26H25N3O3 MolecularWeight: 427.495

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C(=CC=C2)OCCCNCC3=CN=CC=C3)COC4=CC=CC=C4C#N

Isomeric SMILES

CC1=C(OC2=C1C(=CC=C2)OCCCNCC3=CN=CC=C3)COC4=CC=CC=C4C#N

InChI

InChI=1S/C26H25N3O3/c1-19-25(18-31-22-9-3-2-8-21(22)15-27)32-24-11-4-10-23(26(19)24)30-14-6-13-29-17-20-7-5-12-28-16-20/h2-5,7-12,16,29H,6,13-14,17-18H2,1H3