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

Systemtic Name: 1-[3-[2-[4-[(3-methoxy-4-phenoxy-phenyl)amino]quinazolin-6-yl]ethynyl]piperidin-1-yl]ethanone Openeye Name: 1-[3-[2-[4-(3-methoxy-4-phenoxy-anilino)quinazolin-6-yl]ethynyl]-1-piperidyl]ethanone CAS Name: 1-[3-[2-[4-(3-methoxy-4-phenoxyanilino)-6-quinazolinyl]ethynyl]-1-piperidinyl]ethanone IUPAC Name: 1-[3-[2-[4-(3-methoxy-4-phenoxyanilino)quinazolin-6-yl]ethynyl]piperidin-1-yl]ethanone Traditional Name: 1-[3-[2-[4-(3-methoxy-4-phenoxy-anilino)quinazolin-6-yl]ethynyl]piperidino]ethanone Formula: C30H28N4O3 MolecularWeight: 492.56832

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCCC(C1)C#CC2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OC5=CC=CC=C5)OC

Isomeric SMILES

CC(=O)N1CCCC(C1)C#CC2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OC5=CC=CC=C5)OC

InChI

InChI=1S/C30H28N4O3/c1-21(35)34-16-6-7-23(19-34)11-10-22-12-14-27-26(17-22)30(32-20-31-27)33-24-13-15-28(29(18-24)36-2)37-25-8-4-3-5-9-25/h3-5,8-9,12-15,17-18,20,23H,6-7,16,19H2,1-2H3,(H,31,32,33)