2-(1H-benzimidazol-2-yl)-3-[3-bromanyl-4-(2-morpholin-4-yl-2-oxidanylidene-ethoxy)phenyl]prop-2-enenitrile

Systemtic Name: 2-(1H-benzimidazol-2-yl)-3-[3-bromanyl-4-(2-morpholin-4-yl-2-oxidanylidene-ethoxy)phenyl]prop-2-enenitrile Openeye Name: 2-(1H-benzimidazol-2-yl)-3-[3-bromo-4-(2-morpholino-2-oxo-ethoxy)phenyl]prop-2-enenitrile CAS Name: 2-(1H-benzimidazol-2-yl)-3-[3-bromo-4-[2-(4-morpholinyl)-2-oxoethoxy]phenyl]-2-propenenitrile IUPAC Name: 2-(1H-benzimidazol-2-yl)-3-[3-bromo-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]prop-2-enenitrile Traditional Name: 2-(1H-benzimidazol-2-yl)-3-[3-bromo-4-(2-keto-2-morpholino-ethoxy)phenyl]acrylonitrile Formula: C22H19BrN4O3 MolecularWeight: 467.31526

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)COC2=C(C=C(C=C2)C=C(C#N)C3=NC4=CC=CC=C4N3)Br

Isomeric SMILES

C1COCCN1C(=O)COC2=C(C=C(C=C2)C=C(C#N)C3=NC4=CC=CC=C4N3)Br

InChI

InChI=1S/C22H19BrN4O3/c23-17-12-15(5-6-20(17)30-14-21(28)27-7-9-29-10-8-27)11-16(13-24)22-25-18-3-1-2-4-19(18)26-22/h1-6,11-12H,7-10,14H2,(H,25,26)