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

Systemtic Name: 1-[3-[2-[4-[(3-methyl-4-phenoxy-phenyl)amino]quinazolin-6-yl]ethynyl]piperidin-1-yl]ethanone Openeye Name: 1-[3-[2-[4-(3-methyl-4-phenoxy-anilino)quinazolin-6-yl]ethynyl]-1-piperidyl]ethanone CAS Name: 1-[3-[2-[4-(3-methyl-4-phenoxyanilino)-6-quinazolinyl]ethynyl]-1-piperidinyl]ethanone IUPAC Name: 1-[3-[2-[4-(3-methyl-4-phenoxyanilino)quinazolin-6-yl]ethynyl]piperidin-1-yl]ethanone Traditional Name: 1-[3-[2-[4-(3-methyl-4-phenoxy-anilino)quinazolin-6-yl]ethynyl]piperidino]ethanone Formula: C30H28N4O2 MolecularWeight: 476.56892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC2=NC=NC3=C2C=C(C=C3)C#CC4CCCN(C4)C(=O)C)OC5=CC=CC=C5

Isomeric SMILES

CC1=C(C=CC(=C1)NC2=NC=NC3=C2C=C(C=C3)C#CC4CCCN(C4)C(=O)C)OC5=CC=CC=C5

InChI

InChI=1S/C30H28N4O2/c1-21-17-25(13-15-29(21)36-26-8-4-3-5-9-26)33-30-27-18-23(12-14-28(27)31-20-32-30)10-11-24-7-6-16-34(19-24)22(2)35/h3-5,8-9,12-15,17-18,20,24H,6-7,16,19H2,1-2H3,(H,31,32,33)