(E)-3-(7-chloranyl-2-imidazol-1-yl-4-oxidanylidene-1H-quinazolin-6-yl)prop-2-enenitrile

Systemtic Name: (E)-3-(7-chloranyl-2-imidazol-1-yl-4-oxidanylidene-1H-quinazolin-6-yl)prop-2-enenitrile Openeye Name: (E)-3-(7-chloro-2-imidazol-1-yl-4-oxo-1H-quinazolin-6-yl)prop-2-enenitrile CAS Name: (E)-3-[7-chloro-2-(1-imidazolyl)-4-oxo-1H-quinazolin-6-yl]-2-propenenitrile IUPAC Name: (E)-3-(7-chloro-2-imidazol-1-yl-4-oxo-1H-quinazolin-6-yl)prop-2-enenitrile Traditional Name: (E)-3-(7-chloro-2-imidazol-1-yl-4-keto-1H-quinazolin-6-yl)acrylonitrile Formula: C14H8ClN5O MolecularWeight: 297.69922

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C=N1)C2=NC(=O)C3=CC(=C(C=C3N2)Cl)C=CC#N

Isomeric SMILES

C1=CN(C=N1)C2=NC(=O)C3=CC(=C(C=C3N2)Cl)/C=C/C#N

InChI

InChI=1S/C14H8ClN5O/c15-11-7-12-10(6-9(11)2-1-3-16)13(21)19-14(18-12)20-5-4-17-8-20/h1-2,4-8H,(H,18,19,21)/b2-1+