3-bromanyl-1-[[(1-pentylbenzimidazol-2-yl)amino]methylidene]-6,7,8,9-tetrahydrodibenzofuran-2-one

Systemtic Name: 3-bromanyl-1-[[(1-pentylbenzimidazol-2-yl)amino]methylidene]-6,7,8,9-tetrahydrodibenzofuran-2-one Openeye Name: 3-bromo-1-[[(1-pentylbenzimidazol-2-yl)amino]methylene]-6,7,8,9-tetrahydrodibenzofuran-2-one CAS Name: 3-bromo-1-[[(1-pentyl-2-benzimidazolyl)amino]methylidene]-6,7,8,9-tetrahydrodibenzofuran-2-one IUPAC Name: 3-bromo-1-[[(1-pentylbenzimidazol-2-yl)amino]methylidene]-6,7,8,9-tetrahydrodibenzofuran-2-one Traditional Name: 1-[[(1-amylbenzimidazol-2-yl)amino]methylene]-3-bromo-6,7,8,9-tetrahydrodibenzofuran-2-one Formula: C25H26BrN3O2 MolecularWeight: 480.39684

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C2=CC=CC=C2N=C1NC=C3C4=C(C=C(C3=O)Br)OC5=C4CCCC5

Isomeric SMILES

CCCCCN1C2=CC=CC=C2N=C1NC=C3C4=C(C=C(C3=O)Br)OC5=C4CCCC5

InChI

InChI=1S/C25H26BrN3O2/c1-2-3-8-13-29-20-11-6-5-10-19(20)28-25(29)27-15-17-23-16-9-4-7-12-21(16)31-22(23)14-18(26)24(17)30/h5-6,10-11,14-15H,2-4,7-9,12-13H2,1H3,(H,27,28)