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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H21ClN4O2/c1-18(32)31(2)14-6-7-19-10-12-24-22(15-19)26(29-17-28-24)30-20-11-13-25(23(27)16-20)33-21-8-4-3-5-9-21/h3-5,8-13,15-17H,14H2,1-2H3,(H,28,29,30)