3-[2-[4-[(4-phenoxy-3-propan-2-yloxy-phenyl)amino]quinazolin-6-yl]ethynyl]piperidin-3-ol

Systemtic Name: 3-[2-[4-[(4-phenoxy-3-propan-2-yloxy-phenyl)amino]quinazolin-6-yl]ethynyl]piperidin-3-ol Openeye Name: 3-[2-[4-(3-isopropoxy-4-phenoxy-anilino)quinazolin-6-yl]ethynyl]piperidin-3-ol CAS Name: 3-[2-[4-(4-phenoxy-3-propan-2-yloxyanilino)-6-quinazolinyl]ethynyl]-3-piperidinol IUPAC Name: 3-[2-[4-(4-phenoxy-3-propan-2-yloxyanilino)quinazolin-6-yl]ethynyl]piperidin-3-ol Traditional Name: 3-[2-[4-(3-isopropoxy-4-phenoxy-anilino)quinazolin-6-yl]ethynyl]piperidin-3-ol Formula: C30H30N4O3 MolecularWeight: 494.5842

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=CC(=C1)NC2=NC=NC3=C2C=C(C=C3)C#CC4(CCCNC4)O)OC5=CC=CC=C5

Isomeric SMILES

CC(C)OC1=C(C=CC(=C1)NC2=NC=NC3=C2C=C(C=C3)C#CC4(CCCNC4)O)OC5=CC=CC=C5

InChI

InChI=1S/C30H30N4O3/c1-21(2)36-28-18-23(10-12-27(28)37-24-7-4-3-5-8-24)34-29-25-17-22(9-11-26(25)32-20-33-29)13-15-30(35)14-6-16-31-19-30/h3-5,7-12,17-18,20-21,31,35H,6,14,16,19H2,1-2H3,(H,32,33,34)