4-[2-[4-[1H-indazol-5-yl-(phenylmethyl)amino]quinazolin-6-yl]ethynyl]oxan-4-ol

Systemtic Name: 4-[2-[4-[1H-indazol-5-yl-(phenylmethyl)amino]quinazolin-6-yl]ethynyl]oxan-4-ol Openeye Name: 4-[2-[4-[benzyl(1H-indazol-5-yl)amino]quinazolin-6-yl]ethynyl]tetrahydropyran-4-ol CAS Name: 4-[2-[4-[1H-indazol-5-yl-(phenylmethyl)amino]-6-quinazolinyl]ethynyl]-4-oxanol IUPAC Name: 4-[2-[4-[benzyl(1H-indazol-5-yl)amino]quinazolin-6-yl]ethynyl]oxan-4-ol Traditional Name: 4-[2-[4-[benzyl(1H-indazol-5-yl)amino]quinazolin-6-yl]ethynyl]tetrahydropyran-4-ol Formula: C29H25N5O2 MolecularWeight: 475.5411

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1(C#CC2=CC3=C(C=C2)N=CN=C3N(CC4=CC=CC=C4)C5=CC6=C(C=C5)NN=C6)O

Isomeric SMILES

C1COCCC1(C#CC2=CC3=C(C=C2)N=CN=C3N(CC4=CC=CC=C4)C5=CC6=C(C=C5)NN=C6)O

InChI

InChI=1S/C29H25N5O2/c35-29(12-14-36-15-13-29)11-10-21-6-8-27-25(16-21)28(31-20-30-27)34(19-22-4-2-1-3-5-22)24-7-9-26-23(17-24)18-32-33-26/h1-9,16-18,20,35H,12-15,19H2,(H,32,33)