N-[4-[4-[(3-chloranyl-4-phenoxy-phenyl)amino]-4H-quinazolin-1-yl]but-3-yn-2-yl]ethanamide

Systemtic Name: N-[4-[4-[(3-chloranyl-4-phenoxy-phenyl)amino]-4H-quinazolin-1-yl]but-3-yn-2-yl]ethanamide Openeye Name: N-[3-[4-(3-chloro-4-phenoxy-anilino)-4H-quinazolin-1-yl]-1-methyl-prop-2-ynyl]acetamide CAS Name: N-[4-[4-(3-chloro-4-phenoxyanilino)-4H-quinazolin-1-yl]but-3-yn-2-yl]acetamide IUPAC Name: N-[4-[4-(3-chloro-4-phenoxyanilino)-4H-quinazolin-1-yl]but-3-yn-2-yl]acetamide Traditional Name: N-[3-[4-(3-chloro-4-phenoxy-anilino)-4H-quinazolin-1-yl]-1-methyl-prop-2-ynyl]acetamide Formula: C26H23ClN4O2 MolecularWeight: 458.93942

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#CN1C=NC(C2=CC=CC=C21)NC3=CC(=C(C=C3)OC4=CC=CC=C4)Cl)NC(=O)C

Isomeric SMILES

CC(C#CN1C=NC(C2=CC=CC=C21)NC3=CC(=C(C=C3)OC4=CC=CC=C4)Cl)NC(=O)C

InChI

InChI=1S/C26H23ClN4O2/c1-18(29-19(2)32)14-15-31-17-28-26(22-10-6-7-11-24(22)31)30-20-12-13-25(23(27)16-20)33-21-8-4-3-5-9-21/h3-13,16-18,26,30H,1-2H3,(H,29,32)