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

Systemtic Name: 3-[2-[4-[1H-indazol-5-yl-[(3-methylphenyl)methyl]amino]quinazolin-6-yl]ethynyl]piperidin-3-ol Openeye Name: 3-[2-[4-[1H-indazol-5-yl(m-tolylmethyl)amino]quinazolin-6-yl]ethynyl]piperidin-3-ol CAS Name: 3-[2-[4-[1H-indazol-5-yl-[(3-methylphenyl)methyl]amino]-6-quinazolinyl]ethynyl]-3-piperidinol IUPAC Name: 3-[2-[4-[1H-indazol-5-yl-[(3-methylphenyl)methyl]amino]quinazolin-6-yl]ethynyl]piperidin-3-ol Traditional Name: 3-[2-[4-[1H-indazol-5-yl-(3-methylbenzyl)amino]quinazolin-6-yl]ethynyl]piperidin-3-ol Formula: C30H28N6O MolecularWeight: 488.58292

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN(C2=CC3=C(C=C2)NN=C3)C4=NC=NC5=C4C=C(C=C5)C#CC6(CCCNC6)O

Isomeric SMILES

CC1=CC(=CC=C1)CN(C2=CC3=C(C=C2)NN=C3)C4=NC=NC5=C4C=C(C=C5)C#CC6(CCCNC6)O

InChI

InChI=1S/C30H28N6O/c1-21-4-2-5-23(14-21)18-36(25-7-9-27-24(16-25)17-34-35-27)29-26-15-22(6-8-28(26)32-20-33-29)10-12-30(37)11-3-13-31-19-30/h2,4-9,14-17,20,31,37H,3,11,13,18-19H2,1H3,(H,34,35)