4-[4-(4-propan-2-ylphenyl)-6-prop-2-ynoxy-quinazolin-2-yl]carbonylbenzenecarbonitrile

Systemtic Name: 4-[4-(4-propan-2-ylphenyl)-6-prop-2-ynoxy-quinazolin-2-yl]carbonylbenzenecarbonitrile Openeye Name: 4-[4-(4-isopropylphenyl)-6-prop-2-ynoxy-quinazoline-2-carbonyl]benzonitrile CAS Name: 4-[oxo-[4-(4-propan-2-ylphenyl)-6-prop-2-ynoxy-2-quinazolinyl]methyl]benzonitrile IUPAC Name: 4-[4-(4-propan-2-ylphenyl)-6-prop-2-ynoxyquinazoline-2-carbonyl]benzonitrile Traditional Name: 4-(4-p-cumenyl-6-propargyloxy-quinazoline-2-carbonyl)benzonitrile Formula: C28H21N3O2 MolecularWeight: 431.48524

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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)C(=O)C4=CC=C(C=C4)C#N

Isomeric SMILES

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

InChI

InChI=1S/C28H21N3O2/c1-4-15-33-23-13-14-25-24(16-23)26(21-11-9-20(10-12-21)18(2)3)31-28(30-25)27(32)22-7-5-19(17-29)6-8-22/h1,5-14,16,18H,15H2,2-3H3