(3-bromophenyl)-[4-(4-propan-2-ylphenyl)-6-prop-2-ynoxy-quinazolin-2-yl]methanone

Systemtic Name: (3-bromophenyl)-[4-(4-propan-2-ylphenyl)-6-prop-2-ynoxy-quinazolin-2-yl]methanone Openeye Name: (3-bromophenyl)-[4-(4-isopropylphenyl)-6-prop-2-ynoxy-quinazolin-2-yl]methanone CAS Name: (3-bromophenyl)-[4-(4-propan-2-ylphenyl)-6-prop-2-ynoxy-2-quinazolinyl]methanone IUPAC Name: (3-bromophenyl)-[4-(4-propan-2-ylphenyl)-6-prop-2-ynoxyquinazolin-2-yl]methanone Traditional Name: (3-bromophenyl)-(4-p-cumenyl-6-propargyloxy-quinazolin-2-yl)methanone Formula: C27H21BrN2O2 MolecularWeight: 485.37184

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H21BrN2O2/c1-4-14-32-22-12-13-24-23(16-22)25(19-10-8-18(9-11-19)17(2)3)30-27(29-24)26(31)20-6-5-7-21(28)15-20/h1,5-13,15-17H,14H2,2-3H3