1-[3-[2-[4-[(3-methyl-4-phenoxy-phenyl)amino]quinazolin-6-yl]ethynyl]pyrrolidin-1-yl]ethanone

Systemtic Name: 1-[3-[2-[4-[(3-methyl-4-phenoxy-phenyl)amino]quinazolin-6-yl]ethynyl]pyrrolidin-1-yl]ethanone Openeye Name: 1-[3-[2-[4-(3-methyl-4-phenoxy-anilino)quinazolin-6-yl]ethynyl]pyrrolidin-1-yl]ethanone CAS Name: 1-[3-[2-[4-(3-methyl-4-phenoxyanilino)-6-quinazolinyl]ethynyl]-1-pyrrolidinyl]ethanone IUPAC Name: 1-[3-[2-[4-(3-methyl-4-phenoxyanilino)quinazolin-6-yl]ethynyl]pyrrolidin-1-yl]ethanone Traditional Name: 1-[3-[2-[4-(3-methyl-4-phenoxy-anilino)quinazolin-6-yl]ethynyl]pyrrolidino]ethanone Formula: C29H26N4O2 MolecularWeight: 462.54234

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC2=NC=NC3=C2C=C(C=C3)C#CC4CCN(C4)C(=O)C)OC5=CC=CC=C5

Isomeric SMILES

CC1=C(C=CC(=C1)NC2=NC=NC3=C2C=C(C=C3)C#CC4CCN(C4)C(=O)C)OC5=CC=CC=C5

InChI

InChI=1S/C29H26N4O2/c1-20-16-24(11-13-28(20)35-25-6-4-3-5-7-25)32-29-26-17-22(10-12-27(26)30-19-31-29)8-9-23-14-15-33(18-23)21(2)34/h3-7,10-13,16-17,19,23H,14-15,18H2,1-2H3,(H,30,31,32)