(E)-2-(1H-benzimidazol-2-yl)-3-[2,5-dimethyl-1-(4-morpholin-4-ylphenyl)pyrrol-3-yl]prop-2-enenitrile

Systemtic Name: (E)-2-(1H-benzimidazol-2-yl)-3-[2,5-dimethyl-1-(4-morpholin-4-ylphenyl)pyrrol-3-yl]prop-2-enenitrile Openeye Name: (E)-2-(1H-benzimidazol-2-yl)-3-[2,5-dimethyl-1-(4-morpholinophenyl)pyrrol-3-yl]prop-2-enenitrile CAS Name: (E)-2-(1H-benzimidazol-2-yl)-3-[2,5-dimethyl-1-[4-(4-morpholinyl)phenyl]-3-pyrrolyl]-2-propenenitrile IUPAC Name: (E)-2-(1H-benzimidazol-2-yl)-3-[2,5-dimethyl-1-(4-morpholin-4-ylphenyl)pyrrol-3-yl]prop-2-enenitrile Traditional Name: (E)-2-(1H-benzimidazol-2-yl)-3-[2,5-dimethyl-1-(4-morpholinophenyl)pyrrol-3-yl]acrylonitrile Formula: C26H25N5O MolecularWeight: 423.5096

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)N3CCOCC3)C)C=C(C#N)C4=NC5=CC=CC=C5N4

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)N3CCOCC3)C)/C=C(\C#N)/C4=NC5=CC=CC=C5N4

InChI

InChI=1S/C26H25N5O/c1-18-15-20(16-21(17-27)26-28-24-5-3-4-6-25(24)29-26)19(2)31(18)23-9-7-22(8-10-23)30-11-13-32-14-12-30/h3-10,15-16H,11-14H2,1-2H3,(H,28,29)/b21-16+