(E)-2-(4-oxidanylidene-1H-quinazolin-2-yl)-3-(2,4,5-trimethylphenyl)prop-2-enenitrile

Systemtic Name: (E)-2-(4-oxidanylidene-1H-quinazolin-2-yl)-3-(2,4,5-trimethylphenyl)prop-2-enenitrile Openeye Name: (E)-2-(4-oxo-1H-quinazolin-2-yl)-3-(2,4,5-trimethylphenyl)prop-2-enenitrile CAS Name: (E)-2-(4-oxo-1H-quinazolin-2-yl)-3-(2,4,5-trimethylphenyl)-2-propenenitrile IUPAC Name: (E)-2-(4-oxo-1H-quinazolin-2-yl)-3-(2,4,5-trimethylphenyl)prop-2-enenitrile Traditional Name: (E)-2-(4-keto-1H-quinazolin-2-yl)-3-(2,4,5-trimethylphenyl)acrylonitrile Formula: C20H17N3O MolecularWeight: 315.36848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C=C(C#N)C2=NC(=O)C3=CC=CC=C3N2)C)C

Isomeric SMILES

CC1=CC(=C(C=C1/C=C(\C#N)/C2=NC(=O)C3=CC=CC=C3N2)C)C

InChI

InChI=1S/C20H17N3O/c1-12-8-14(3)15(9-13(12)2)10-16(11-21)19-22-18-7-5-4-6-17(18)20(24)23-19/h4-10H,1-3H3,(H,22,23,24)/b16-10+