2-[4-(4-propan-2-ylphenyl)-6-prop-2-ynoxy-quinazolin-2-yl]-3H-benzimidazole-5-carbonitrile

Systemtic Name: 2-[4-(4-propan-2-ylphenyl)-6-prop-2-ynoxy-quinazolin-2-yl]-3H-benzimidazole-5-carbonitrile Openeye Name: 2-[4-(4-isopropylphenyl)-6-prop-2-ynoxy-quinazolin-2-yl]-3H-benzimidazole-5-carbonitrile CAS Name: 2-[4-(4-propan-2-ylphenyl)-6-prop-2-ynoxy-2-quinazolinyl]-3H-benzimidazole-5-carbonitrile IUPAC Name: 2-[4-(4-propan-2-ylphenyl)-6-prop-2-ynoxyquinazolin-2-yl]-3H-benzimidazole-5-carbonitrile Traditional Name: 2-(4-p-cumenyl-6-propargyloxy-quinazolin-2-yl)-3H-benzimidazole-5-carbonitrile Formula: C28H21N5O MolecularWeight: 443.49924

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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(N4)C=C(C=C5)C#N

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C2=NC(=NC3=C2C=C(C=C3)OCC#C)C4=NC5=C(N4)C=C(C=C5)C#N

InChI

InChI=1S/C28H21N5O/c1-4-13-34-21-10-12-23-22(15-21)26(20-8-6-19(7-9-20)17(2)3)33-28(30-23)27-31-24-11-5-18(16-29)14-25(24)32-27/h1,5-12,14-15,17H,13H2,2-3H3,(H,31,32)