N-[4-[4-[(3-methyl-4-phenoxy-phenyl)amino]quinazolin-6-yl]but-3-yn-2-yl]ethanamide

Systemtic Name: N-[4-[4-[(3-methyl-4-phenoxy-phenyl)amino]quinazolin-6-yl]but-3-yn-2-yl]ethanamide Openeye Name: N-[1-methyl-3-[4-(3-methyl-4-phenoxy-anilino)quinazolin-6-yl]prop-2-ynyl]acetamide CAS Name: N-[4-[4-(3-methyl-4-phenoxyanilino)-6-quinazolinyl]but-3-yn-2-yl]acetamide IUPAC Name: N-[4-[4-(3-methyl-4-phenoxyanilino)quinazolin-6-yl]but-3-yn-2-yl]acetamide Traditional Name: N-[1-methyl-3-[4-(3-methyl-4-phenoxy-anilino)quinazolin-6-yl]prop-2-ynyl]acetamide Formula: C27H24N4O2 MolecularWeight: 436.50506

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC2=NC=NC3=C2C=C(C=C3)C#CC(C)NC(=O)C)OC4=CC=CC=C4

Isomeric SMILES

CC1=C(C=CC(=C1)NC2=NC=NC3=C2C=C(C=C3)C#CC(C)NC(=O)C)OC4=CC=CC=C4

InChI

InChI=1S/C27H24N4O2/c1-18-15-22(12-14-26(18)33-23-7-5-4-6-8-23)31-27-24-16-21(10-9-19(2)30-20(3)32)11-13-25(24)28-17-29-27/h4-8,11-17,19H,1-3H3,(H,30,32)(H,28,29,31)