[3-methyl-4-[3-(pyridin-3-ylmethylamino)propoxy]-1-benzofuran-2-yl]-(1-prop-2-enylbenzimidazol-2-yl)methanone

Systemtic Name: [3-methyl-4-[3-(pyridin-3-ylmethylamino)propoxy]-1-benzofuran-2-yl]-(1-prop-2-enylbenzimidazol-2-yl)methanone Openeye Name: (1-allylbenzimidazol-2-yl)-[3-methyl-4-[3-(3-pyridylmethylamino)propoxy]benzofuran-2-yl]methanone CAS Name: [3-methyl-4-[3-(3-pyridinylmethylamino)propoxy]-2-benzofuranyl]-(1-prop-2-enyl-2-benzimidazolyl)methanone IUPAC Name: [3-methyl-4-[3-(pyridin-3-ylmethylamino)propoxy]-1-benzofuran-2-yl]-(1-prop-2-enylbenzimidazol-2-yl)methanone Traditional Name: (1-allylbenzimidazol-2-yl)-[3-methyl-4-[3-(3-pyridylmethylamino)propoxy]benzofuran-2-yl]methanone Formula: C29H28N4O3 MolecularWeight: 480.55762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C(=CC=C2)OCCCNCC3=CN=CC=C3)C(=O)C4=NC5=CC=CC=C5N4CC=C

Isomeric SMILES

CC1=C(OC2=C1C(=CC=C2)OCCCNCC3=CN=CC=C3)C(=O)C4=NC5=CC=CC=C5N4CC=C

InChI

InChI=1S/C29H28N4O3/c1-3-16-33-23-11-5-4-10-22(23)32-29(33)27(34)28-20(2)26-24(12-6-13-25(26)36-28)35-17-8-15-31-19-21-9-7-14-30-18-21/h3-7,9-14,18,31H,1,8,15-17,19H2,2H3