(E)-2-(1H-benzimidazol-2-yl)-3-[3-methoxy-4-[(4-oxidanylidene-1H-quinazolin-2-yl)methoxy]phenyl]prop-2-enenitrile

Systemtic Name: (E)-2-(1H-benzimidazol-2-yl)-3-[3-methoxy-4-[(4-oxidanylidene-1H-quinazolin-2-yl)methoxy]phenyl]prop-2-enenitrile Openeye Name: (E)-2-(1H-benzimidazol-2-yl)-3-[3-methoxy-4-[(4-oxo-1H-quinazolin-2-yl)methoxy]phenyl]prop-2-enenitrile CAS Name: (E)-2-(1H-benzimidazol-2-yl)-3-[3-methoxy-4-[(4-oxo-1H-quinazolin-2-yl)methoxy]phenyl]-2-propenenitrile IUPAC Name: (E)-2-(1H-benzimidazol-2-yl)-3-[3-methoxy-4-[(4-oxo-1H-quinazolin-2-yl)methoxy]phenyl]prop-2-enenitrile Traditional Name: (E)-2-(1H-benzimidazol-2-yl)-3-[4-[(4-keto-1H-quinazolin-2-yl)methoxy]-3-methoxy-phenyl]acrylonitrile Formula: C26H19N5O3 MolecularWeight: 449.46076

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C(C#N)C2=NC3=CC=CC=C3N2)OCC4=NC(=O)C5=CC=CC=C5N4

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C(\C#N)/C2=NC3=CC=CC=C3N2)OCC4=NC(=O)C5=CC=CC=C5N4

InChI

InChI=1S/C26H19N5O3/c1-33-23-13-16(12-17(14-27)25-29-20-8-4-5-9-21(20)30-25)10-11-22(23)34-15-24-28-19-7-3-2-6-18(19)26(32)31-24/h2-13H,15H2,1H3,(H,29,30)(H,28,31,32)/b17-12+