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

Systemtic Name: N-[4-[4-[(3-methoxy-4-phenoxy-phenyl)amino]quinazolin-6-yl]but-3-yn-2-yl]ethanamide Openeye Name: N-[3-[4-(3-methoxy-4-phenoxy-anilino)quinazolin-6-yl]-1-methyl-prop-2-ynyl]acetamide CAS Name: N-[4-[4-(3-methoxy-4-phenoxyanilino)-6-quinazolinyl]but-3-yn-2-yl]acetamide IUPAC Name: N-[4-[4-(3-methoxy-4-phenoxyanilino)quinazolin-6-yl]but-3-yn-2-yl]acetamide Traditional Name: N-[3-[4-(3-methoxy-4-phenoxy-anilino)quinazolin-6-yl]-1-methyl-prop-2-ynyl]acetamide Formula: C27H24N4O3 MolecularWeight: 452.50446

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H24N4O3/c1-18(30-19(2)32)9-10-20-11-13-24-23(15-20)27(29-17-28-24)31-21-12-14-25(26(16-21)33-3)34-22-7-5-4-6-8-22/h4-8,11-18H,1-3H3,(H,30,32)(H,28,29,31)