3-[2-[4-[1H-indazol-5-yl-(phenylmethyl)amino]quinazolin-6-yl]ethynyl]pyrrolidin-3-ol

Systemtic Name: 3-[2-[4-[1H-indazol-5-yl-(phenylmethyl)amino]quinazolin-6-yl]ethynyl]pyrrolidin-3-ol Openeye Name: 3-[2-[4-[benzyl(1H-indazol-5-yl)amino]quinazolin-6-yl]ethynyl]pyrrolidin-3-ol CAS Name: 3-[2-[4-[1H-indazol-5-yl-(phenylmethyl)amino]-6-quinazolinyl]ethynyl]-3-pyrrolidinol IUPAC Name: 3-[2-[4-[benzyl(1H-indazol-5-yl)amino]quinazolin-6-yl]ethynyl]pyrrolidin-3-ol Traditional Name: 3-[2-[4-[benzyl(1H-indazol-5-yl)amino]quinazolin-6-yl]ethynyl]pyrrolidin-3-ol Formula: C28H24N6O MolecularWeight: 460.52976

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CNCC1(C#CC2=CC3=C(C=C2)N=CN=C3N(CC4=CC=CC=C4)C5=CC6=C(C=C5)NN=C6)O

Isomeric SMILES

C1CNCC1(C#CC2=CC3=C(C=C2)N=CN=C3N(CC4=CC=CC=C4)C5=CC6=C(C=C5)NN=C6)O

InChI

InChI=1S/C28H24N6O/c35-28(12-13-29-18-28)11-10-20-6-8-26-24(14-20)27(31-19-30-26)34(17-21-4-2-1-3-5-21)23-7-9-25-22(15-23)16-32-33-25/h1-9,14-16,19,29,35H,12-13,17-18H2,(H,32,33)