2-(5-chloranyl-6-fluoranyl-1H-benzimidazol-2-yl)-4-(4-propan-2-ylphenyl)-6-prop-2-ynoxy-quinazoline

Systemtic Name: 2-(5-chloranyl-6-fluoranyl-1H-benzimidazol-2-yl)-4-(4-propan-2-ylphenyl)-6-prop-2-ynoxy-quinazoline Openeye Name: 2-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)-4-(4-isopropylphenyl)-6-prop-2-ynoxy-quinazoline CAS Name: 2-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)-4-(4-propan-2-ylphenyl)-6-prop-2-ynoxyquinazoline IUPAC Name: 2-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)-4-(4-propan-2-ylphenyl)-6-prop-2-ynoxyquinazoline Traditional Name: 2-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)-4-p-cumenyl-6-propargyloxy-quinazoline Formula: C27H20ClFN4O MolecularWeight: 470.925303

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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=CC(=C(C=C5N4)F)Cl

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C2=NC(=NC3=C2C=C(C=C3)OCC#C)C4=NC5=CC(=C(C=C5N4)F)Cl

InChI

InChI=1S/C27H20ClFN4O/c1-4-11-34-18-9-10-22-19(12-18)25(17-7-5-16(6-8-17)15(2)3)33-27(30-22)26-31-23-13-20(28)21(29)14-24(23)32-26/h1,5-10,12-15H,11H2,2-3H3,(H,31,32)