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

Systemtic Name: N-[4-[4-[(3-methoxy-4-phenoxy-phenyl)amino]quinazolin-6-yl]-2-methyl-but-3-yn-2-yl]ethanamide Openeye Name: N-[3-[4-(3-methoxy-4-phenoxy-anilino)quinazolin-6-yl]-1,1-dimethyl-prop-2-ynyl]acetamide CAS Name: N-[4-[4-(3-methoxy-4-phenoxyanilino)-6-quinazolinyl]-2-methylbut-3-yn-2-yl]acetamide IUPAC Name: N-[4-[4-(3-methoxy-4-phenoxyanilino)quinazolin-6-yl]-2-methylbut-3-yn-2-yl]acetamide Traditional Name: N-[3-[4-(3-methoxy-4-phenoxy-anilino)quinazolin-6-yl]-1,1-dimethyl-prop-2-ynyl]acetamide Formula: C28H26N4O3 MolecularWeight: 466.53104

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(C)(C)C#CC1=CC2=C(C=C1)N=CN=C2NC3=CC(=C(C=C3)OC4=CC=CC=C4)OC

Isomeric SMILES

CC(=O)NC(C)(C)C#CC1=CC2=C(C=C1)N=CN=C2NC3=CC(=C(C=C3)OC4=CC=CC=C4)OC

InChI

InChI=1S/C28H26N4O3/c1-19(33)32-28(2,3)15-14-20-10-12-24-23(16-20)27(30-18-29-24)31-21-11-13-25(26(17-21)34-4)35-22-8-6-5-7-9-22/h5-13,16-18H,1-4H3,(H,32,33)(H,29,30,31)