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

Systemtic Name: 3-[2-[4-[1H-indazol-5-yl-(phenylmethyl)amino]quinazolin-6-yl]ethynyl]piperidin-3-ol Openeye Name: 3-[2-[4-[benzyl(1H-indazol-5-yl)amino]quinazolin-6-yl]ethynyl]piperidin-3-ol CAS Name: 3-[2-[4-[1H-indazol-5-yl-(phenylmethyl)amino]-6-quinazolinyl]ethynyl]-3-piperidinol IUPAC Name: 3-[2-[4-[benzyl(1H-indazol-5-yl)amino]quinazolin-6-yl]ethynyl]piperidin-3-ol Traditional Name: 3-[2-[4-[benzyl(1H-indazol-5-yl)amino]quinazolin-6-yl]ethynyl]piperidin-3-ol Formula: C29H26N6O MolecularWeight: 474.55634

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CNC1)(C#CC2=CC3=C(C=C2)N=CN=C3N(CC4=CC=CC=C4)C5=CC6=C(C=C5)NN=C6)O

Isomeric SMILES

C1CC(CNC1)(C#CC2=CC3=C(C=C2)N=CN=C3N(CC4=CC=CC=C4)C5=CC6=C(C=C5)NN=C6)O

InChI

InChI=1S/C29H26N6O/c36-29(12-4-14-30-19-29)13-11-21-7-9-27-25(15-21)28(32-20-31-27)35(18-22-5-2-1-3-6-22)24-8-10-26-23(16-24)17-33-34-26/h1-3,5-10,15-17,20,30,36H,4,12,14,18-19H2,(H,33,34)