1-[3-[4-[(3-chloranyl-4-phenoxy-phenyl)amino]quinazolin-6-yl]prop-2-ynyl]pyrrolidin-2-one

Systemtic Name: 1-[3-[4-[(3-chloranyl-4-phenoxy-phenyl)amino]quinazolin-6-yl]prop-2-ynyl]pyrrolidin-2-one Openeye Name: 1-[3-[4-(3-chloro-4-phenoxy-anilino)quinazolin-6-yl]prop-2-ynyl]pyrrolidin-2-one CAS Name: 1-[3-[4-(3-chloro-4-phenoxyanilino)-6-quinazolinyl]prop-2-ynyl]-2-pyrrolidinone IUPAC Name: 1-[3-[4-(3-chloro-4-phenoxyanilino)quinazolin-6-yl]prop-2-ynyl]pyrrolidin-2-one Traditional Name: 1-[3-[4-(3-chloro-4-phenoxy-anilino)quinazolin-6-yl]prop-2-ynyl]-2-pyrrolidone Formula: C27H21ClN4O2 MolecularWeight: 468.93424

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)CC#CC2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OC5=CC=CC=C5)Cl

Isomeric SMILES

C1CC(=O)N(C1)CC#CC2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OC5=CC=CC=C5)Cl

InChI

InChI=1S/C27H21ClN4O2/c28-23-17-20(11-13-25(23)34-21-7-2-1-3-8-21)31-27-22-16-19(10-12-24(22)29-18-30-27)6-4-14-32-15-5-9-26(32)33/h1-3,7-8,10-13,16-18H,5,9,14-15H2,(H,29,30,31)