4-[(E)-2-(1H-benzimidazol-2-yl)-3-morpholin-4-yl-3-oxidanylidene-prop-1-enyl]benzenecarbonitrile

Systemtic Name: 4-[(E)-2-(1H-benzimidazol-2-yl)-3-morpholin-4-yl-3-oxidanylidene-prop-1-enyl]benzenecarbonitrile Openeye Name: 4-[(E)-2-(1H-benzimidazol-2-yl)-3-morpholino-3-oxo-prop-1-enyl]benzonitrile CAS Name: 4-[(E)-2-(1H-benzimidazol-2-yl)-3-(4-morpholinyl)-3-oxoprop-1-enyl]benzonitrile IUPAC Name: 4-[(E)-2-(1H-benzimidazol-2-yl)-3-morpholin-4-yl-3-oxoprop-1-enyl]benzonitrile Traditional Name: 4-[(E)-2-(1H-benzimidazol-2-yl)-3-keto-3-morpholino-prop-1-enyl]benzonitrile Formula: C21H18N4O2 MolecularWeight: 358.39322

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)C(=CC2=CC=C(C=C2)C#N)C3=NC4=CC=CC=C4N3

Isomeric SMILES

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

InChI

InChI=1S/C21H18N4O2/c22-14-16-7-5-15(6-8-16)13-17(21(26)25-9-11-27-12-10-25)20-23-18-3-1-2-4-19(18)24-20/h1-8,13H,9-12H2,(H,23,24)/b17-13+