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

Systemtic Name: N-[4-[4-[(3-chloranyl-4-phenoxy-phenyl)amino]quinazolin-6-yl]but-3-yn-2-yl]ethanamide Openeye Name: N-[3-[4-(3-chloro-4-phenoxy-anilino)quinazolin-6-yl]-1-methyl-prop-2-ynyl]acetamide CAS Name: N-[4-[4-(3-chloro-4-phenoxyanilino)-6-quinazolinyl]but-3-yn-2-yl]acetamide IUPAC Name: N-[4-[4-(3-chloro-4-phenoxyanilino)quinazolin-6-yl]but-3-yn-2-yl]acetamide Traditional Name: N-[3-[4-(3-chloro-4-phenoxy-anilino)quinazolin-6-yl]-1-methyl-prop-2-ynyl]acetamide Formula: C26H21ClN4O2 MolecularWeight: 456.92354

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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)Cl)NC(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C26H21ClN4O2/c1-17(30-18(2)32)8-9-19-10-12-24-22(14-19)26(29-16-28-24)31-20-11-13-25(23(27)15-20)33-21-6-4-3-5-7-21/h3-7,10-17H,1-2H3,(H,30,32)(H,28,29,31)