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

Systemtic Name: 3-[2-[7-(2-methoxyethoxy)-4-[(3-methyl-4-phenoxy-phenyl)amino]quinazolin-6-yl]ethynyl]piperidin-3-ol Openeye Name: 3-[2-[7-(2-methoxyethoxy)-4-(3-methyl-4-phenoxy-anilino)quinazolin-6-yl]ethynyl]piperidin-3-ol CAS Name: 3-[2-[7-(2-methoxyethoxy)-4-(3-methyl-4-phenoxyanilino)-6-quinazolinyl]ethynyl]-3-piperidinol IUPAC Name: 3-[2-[7-(2-methoxyethoxy)-4-(3-methyl-4-phenoxyanilino)quinazolin-6-yl]ethynyl]piperidin-3-ol Traditional Name: 3-[2-[7-(2-methoxyethoxy)-4-(3-methyl-4-phenoxy-anilino)quinazolin-6-yl]ethynyl]piperidin-3-ol Formula: C31H32N4O4 MolecularWeight: 524.61018

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H32N4O4/c1-22-17-24(9-10-28(22)39-25-7-4-3-5-8-25)35-30-26-18-23(11-13-31(36)12-6-14-32-20-31)29(38-16-15-37-2)19-27(26)33-21-34-30/h3-5,7-10,17-19,21,32,36H,6,12,14-16,20H2,1-2H3,(H,33,34,35)