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

Systemtic Name: (E)-3-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-2-(4-oxidanylidene-1H-quinazolin-2-yl)prop-2-enenitrile Openeye Name: (E)-3-[(2S)-2-methyl-2,3-dihydrobenzofuran-5-yl]-2-(4-oxo-1H-quinazolin-2-yl)prop-2-enenitrile CAS Name: (E)-3-[(2S)-2-methyl-2,3-dihydrobenzofuran-5-yl]-2-(4-oxo-1H-quinazolin-2-yl)-2-propenenitrile IUPAC Name: (E)-3-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-2-(4-oxo-1H-quinazolin-2-yl)prop-2-enenitrile Traditional Name: (E)-2-(4-keto-1H-quinazolin-2-yl)-3-[(2S)-2-methylcoumaran-5-yl]acrylonitrile Formula: C20H15N3O2 MolecularWeight: 329.352

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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

Isomeric SMILES

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

InChI

InChI=1S/C20H15N3O2/c1-12-8-14-9-13(6-7-18(14)25-12)10-15(11-21)19-22-17-5-3-2-4-16(17)20(24)23-19/h2-7,9-10,12H,8H2,1H3,(H,22,23,24)/b15-10+/t12-/m0/s1