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

Systemtic Name: N-[4-[4-[(3-chloranyl-4-phenoxy-phenyl)amino]quinazolin-6-yl]-2-methyl-but-3-yn-2-yl]ethanamide Openeye Name: N-[3-[4-(3-chloro-4-phenoxy-anilino)quinazolin-6-yl]-1,1-dimethyl-prop-2-ynyl]acetamide CAS Name: N-[4-[4-(3-chloro-4-phenoxyanilino)-6-quinazolinyl]-2-methylbut-3-yn-2-yl]acetamide IUPAC Name: N-[4-[4-(3-chloro-4-phenoxyanilino)quinazolin-6-yl]-2-methylbut-3-yn-2-yl]acetamide Traditional Name: N-[3-[4-(3-chloro-4-phenoxy-anilino)quinazolin-6-yl]-1,1-dimethyl-prop-2-ynyl]acetamide Formula: C27H23ClN4O2 MolecularWeight: 470.95012

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C27H23ClN4O2/c1-18(33)32-27(2,3)14-13-19-9-11-24-22(15-19)26(30-17-29-24)31-20-10-12-25(23(28)16-20)34-21-7-5-4-6-8-21/h4-12,15-17H,1-3H3,(H,32,33)(H,29,30,31)