6-chloranyl-2-[4-(4-propan-2-ylphenyl)-6-prop-2-ynoxy-quinazolin-2-yl]-1,3-benzoxazole

Systemtic Name: 6-chloranyl-2-[4-(4-propan-2-ylphenyl)-6-prop-2-ynoxy-quinazolin-2-yl]-1,3-benzoxazole Openeye Name: 6-chloro-2-[4-(4-isopropylphenyl)-6-prop-2-ynoxy-quinazolin-2-yl]-1,3-benzoxazole CAS Name: 6-chloro-2-[4-(4-propan-2-ylphenyl)-6-prop-2-ynoxy-2-quinazolinyl]-1,3-benzoxazole IUPAC Name: 6-chloro-2-[4-(4-propan-2-ylphenyl)-6-prop-2-ynoxyquinazolin-2-yl]-1,3-benzoxazole Traditional Name: 6-chloro-2-(4-p-cumenyl-6-propargyloxy-quinazolin-2-yl)-1,3-benzoxazole Formula: C27H20ClN3O2 MolecularWeight: 453.9196

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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=NC5=C(O4)C=C(C=C5)Cl

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C2=NC(=NC3=C2C=C(C=C3)OCC#C)C4=NC5=C(O4)C=C(C=C5)Cl

InChI

InChI=1S/C27H20ClN3O2/c1-4-13-32-20-10-12-22-21(15-20)25(18-7-5-17(6-8-18)16(2)3)31-26(29-22)27-30-23-11-9-19(28)14-24(23)33-27/h1,5-12,14-16H,13H2,2-3H3