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

Systemtic Name: N-[2-methyl-4-[4-[(3-methyl-4-phenoxy-phenyl)amino]quinazolin-6-yl]but-3-yn-2-yl]ethanamide Openeye Name: N-[1,1-dimethyl-3-[4-(3-methyl-4-phenoxy-anilino)quinazolin-6-yl]prop-2-ynyl]acetamide CAS Name: N-[2-methyl-4-[4-(3-methyl-4-phenoxyanilino)-6-quinazolinyl]but-3-yn-2-yl]acetamide IUPAC Name: N-[2-methyl-4-[4-(3-methyl-4-phenoxyanilino)quinazolin-6-yl]but-3-yn-2-yl]acetamide Traditional Name: N-[1,1-dimethyl-3-[4-(3-methyl-4-phenoxy-anilino)quinazolin-6-yl]prop-2-ynyl]acetamide Formula: C28H26N4O2 MolecularWeight: 450.53164

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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)(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)(C)NC(=O)C)OC4=CC=CC=C4

InChI

InChI=1S/C28H26N4O2/c1-19-16-22(11-13-26(19)34-23-8-6-5-7-9-23)31-27-24-17-21(10-12-25(24)29-18-30-27)14-15-28(3,4)32-20(2)33/h5-13,16-18H,1-4H3,(H,32,33)(H,29,30,31)