4-[8-(cyclopropylmethoxy)-7-oxidanyl-4-oxidanylidene-2-propan-2-yl-quinazolin-3-yl]benzenecarbonitrile

Systemtic Name: 4-[8-(cyclopropylmethoxy)-7-oxidanyl-4-oxidanylidene-2-propan-2-yl-quinazolin-3-yl]benzenecarbonitrile Openeye Name: 4-[8-(cyclopropylmethoxy)-7-hydroxy-2-isopropyl-4-oxo-quinazolin-3-yl]benzonitrile CAS Name: 4-[8-(cyclopropylmethoxy)-7-hydroxy-4-oxo-2-propan-2-yl-3-quinazolinyl]benzonitrile IUPAC Name: 4-[8-(cyclopropylmethoxy)-7-hydroxy-4-oxo-2-propan-2-ylquinazolin-3-yl]benzonitrile Traditional Name: 4-[8-(cyclopropylmethoxy)-7-hydroxy-2-isopropyl-4-keto-quinazolin-3-yl]benzonitrile Formula: C22H21N3O3 MolecularWeight: 375.42044

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC2=C(C=CC(=C2OCC3CC3)O)C(=O)N1C4=CC=C(C=C4)C#N

Isomeric SMILES

CC(C)C1=NC2=C(C=CC(=C2OCC3CC3)O)C(=O)N1C4=CC=C(C=C4)C#N

InChI

InChI=1S/C22H21N3O3/c1-13(2)21-24-19-17(9-10-18(26)20(19)28-12-15-3-4-15)22(27)25(21)16-7-5-14(11-23)6-8-16/h5-10,13,15,26H,3-4,12H2,1-2H3