(E)-3-[(2S)-2,7-dimethyl-2,3-dihydro-1-benzofuran-5-yl]-2-(4-oxidanylidene-1H-quinazolin-2-yl)prop-2-enenitrile

Systemtic Name: (E)-3-[(2S)-2,7-dimethyl-2,3-dihydro-1-benzofuran-5-yl]-2-(4-oxidanylidene-1H-quinazolin-2-yl)prop-2-enenitrile Openeye Name: (E)-3-[(2S)-2,7-dimethyl-2,3-dihydrobenzofuran-5-yl]-2-(4-oxo-1H-quinazolin-2-yl)prop-2-enenitrile CAS Name: (E)-3-[(2S)-2,7-dimethyl-2,3-dihydrobenzofuran-5-yl]-2-(4-oxo-1H-quinazolin-2-yl)-2-propenenitrile IUPAC Name: (E)-3-[(2S)-2,7-dimethyl-2,3-dihydro-1-benzofuran-5-yl]-2-(4-oxo-1H-quinazolin-2-yl)prop-2-enenitrile Traditional Name: (E)-3-[(2S)-2,7-dimethylcoumaran-5-yl]-2-(4-keto-1H-quinazolin-2-yl)acrylonitrile Formula: C21H17N3O2 MolecularWeight: 343.37858

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=C(O1)C(=CC(=C2)C=C(C#N)C3=NC(=O)C4=CC=CC=C4N3)C

Isomeric SMILES

C[C@H]1CC2=C(O1)C(=CC(=C2)/C=C(\C#N)/C3=NC(=O)C4=CC=CC=C4N3)C

InChI

InChI=1S/C21H17N3O2/c1-12-7-14(9-15-8-13(2)26-19(12)15)10-16(11-22)20-23-18-6-4-3-5-17(18)21(25)24-20/h3-7,9-10,13H,8H2,1-2H3,(H,23,24,25)/b16-10+/t13-/m0/s1