[4-(4-tert-butylphenyl)-6-prop-2-ynoxy-quinazolin-2-yl]-(3-fluorophenyl)methanone

Systemtic Name: [4-(4-tert-butylphenyl)-6-prop-2-ynoxy-quinazolin-2-yl]-(3-fluorophenyl)methanone Openeye Name: [4-(4-tert-butylphenyl)-6-prop-2-ynoxy-quinazolin-2-yl]-(3-fluorophenyl)methanone CAS Name: [4-(4-tert-butylphenyl)-6-prop-2-ynoxy-2-quinazolinyl]-(3-fluorophenyl)methanone IUPAC Name: [4-(4-tert-butylphenyl)-6-prop-2-ynoxyquinazolin-2-yl]-(3-fluorophenyl)methanone Traditional Name: [4-(4-tert-butylphenyl)-6-propargyloxy-quinazolin-2-yl]-(3-fluorophenyl)methanone Formula: C28H23FN2O2 MolecularWeight: 438.492823

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H23FN2O2/c1-5-15-33-22-13-14-24-23(17-22)25(18-9-11-20(12-10-18)28(2,3)4)31-27(30-24)26(32)19-7-6-8-21(29)16-19/h1,6-14,16-17H,15H2,2-4H3