3-[2-[7-methoxy-4-[(3-methyl-4-phenoxy-phenyl)amino]quinazolin-6-yl]ethynyl]piperidin-3-ol

Systemtic Name: 3-[2-[7-methoxy-4-[(3-methyl-4-phenoxy-phenyl)amino]quinazolin-6-yl]ethynyl]piperidin-3-ol Openeye Name: 3-[2-[7-methoxy-4-(3-methyl-4-phenoxy-anilino)quinazolin-6-yl]ethynyl]piperidin-3-ol CAS Name: 3-[2-[7-methoxy-4-(3-methyl-4-phenoxyanilino)-6-quinazolinyl]ethynyl]-3-piperidinol IUPAC Name: 3-[2-[7-methoxy-4-(3-methyl-4-phenoxyanilino)quinazolin-6-yl]ethynyl]piperidin-3-ol Traditional Name: 3-[2-[7-methoxy-4-(3-methyl-4-phenoxy-anilino)quinazolin-6-yl]ethynyl]piperidin-3-ol Formula: C29H28N4O3 MolecularWeight: 480.55762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC2=NC=NC3=C2C=C(C(=C3)OC)C#CC4(CCCNC4)O)OC5=CC=CC=C5

Isomeric SMILES

CC1=C(C=CC(=C1)NC2=NC=NC3=C2C=C(C(=C3)OC)C#CC4(CCCNC4)O)OC5=CC=CC=C5

InChI

InChI=1S/C29H28N4O3/c1-20-15-22(9-10-26(20)36-23-7-4-3-5-8-23)33-28-24-16-21(11-13-29(34)12-6-14-30-18-29)27(35-2)17-25(24)31-19-32-28/h3-5,7-10,15-17,19,30,34H,6,12,14,18H2,1-2H3,(H,31,32,33)