(E)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)-3-(4-morpholin-4-ylphenyl)prop-2-enenitrile

Systemtic Name: (E)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)-3-(4-morpholin-4-ylphenyl)prop-2-enenitrile Openeye Name: (E)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)-3-(4-morpholinophenyl)prop-2-enenitrile CAS Name: (E)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)-3-[4-(4-morpholinyl)phenyl]-2-propenenitrile IUPAC Name: (E)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)-3-(4-morpholin-4-ylphenyl)prop-2-enenitrile Traditional Name: (E)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)-3-(4-morpholinophenyl)acrylonitrile Formula: C22H22N4O MolecularWeight: 358.43628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)N=C(N2)C(=CC3=CC=C(C=C3)N4CCOCC4)C#N

Isomeric SMILES

CC1=CC2=C(C=C1C)N=C(N2)/C(=C/C3=CC=C(C=C3)N4CCOCC4)/C#N

InChI

InChI=1S/C22H22N4O/c1-15-11-20-21(12-16(15)2)25-22(24-20)18(14-23)13-17-3-5-19(6-4-17)26-7-9-27-10-8-26/h3-6,11-13H,7-10H2,1-2H3,(H,24,25)/b18-13+