2-[4-(4-propan-2-ylphenyl)-6-prop-2-ynoxy-quinazolin-2-yl]-1H-quinazolin-4-one

Systemtic Name: 2-[4-(4-propan-2-ylphenyl)-6-prop-2-ynoxy-quinazolin-2-yl]-1H-quinazolin-4-one Openeye Name: 2-[4-(4-isopropylphenyl)-6-prop-2-ynoxy-quinazolin-2-yl]-1H-quinazolin-4-one CAS Name: 2-[4-(4-propan-2-ylphenyl)-6-prop-2-ynoxy-2-quinazolinyl]-1H-quinazolin-4-one IUPAC Name: 2-[4-(4-propan-2-ylphenyl)-6-prop-2-ynoxyquinazolin-2-yl]-1H-quinazolin-4-one Traditional Name: 2-(4-p-cumenyl-6-propargyloxy-quinazolin-2-yl)-1H-quinazolin-4-one Formula: C28H22N4O2 MolecularWeight: 446.49988

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C2=NC(=NC3=C2C=C(C=C3)OCC#C)C4=NC(=O)C5=CC=CC=C5N4

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C2=NC(=NC3=C2C=C(C=C3)OCC#C)C4=NC(=O)C5=CC=CC=C5N4

InChI

InChI=1S/C28H22N4O2/c1-4-15-34-20-13-14-24-22(16-20)25(19-11-9-18(10-12-19)17(2)3)31-26(30-24)27-29-23-8-6-5-7-21(23)28(33)32-27/h1,5-14,16-17H,15H2,2-3H3,(H,29,32,33)