3-[2-[4-[(4-cyclobutyloxy-3-methyl-phenyl)amino]quinazolin-6-yl]ethynyl]piperidin-3-ol

Systemtic Name: 3-[2-[4-[(4-cyclobutyloxy-3-methyl-phenyl)amino]quinazolin-6-yl]ethynyl]piperidin-3-ol Openeye Name: 3-[2-[4-[4-(cyclobutoxy)-3-methyl-anilino]quinazolin-6-yl]ethynyl]piperidin-3-ol CAS Name: 3-[2-[4-(4-cyclobutyloxy-3-methylanilino)-6-quinazolinyl]ethynyl]-3-piperidinol IUPAC Name: 3-[2-[4-(4-cyclobutyloxy-3-methylanilino)quinazolin-6-yl]ethynyl]piperidin-3-ol Traditional Name: 3-[2-[4-[4-(cyclobutoxy)-3-methyl-anilino]quinazolin-6-yl]ethynyl]piperidin-3-ol Formula: C26H28N4O2 MolecularWeight: 428.52612

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC2=NC=NC3=C2C=C(C=C3)C#CC4(CCCNC4)O)OC5CCC5

Isomeric SMILES

CC1=C(C=CC(=C1)NC2=NC=NC3=C2C=C(C=C3)C#CC4(CCCNC4)O)OC5CCC5

InChI

InChI=1S/C26H28N4O2/c1-18-14-20(7-9-24(18)32-21-4-2-5-21)30-25-22-15-19(6-8-23(22)28-17-29-25)10-12-26(31)11-3-13-27-16-26/h6-9,14-15,17,21,27,31H,2-5,11,13,16H2,1H3,(H,28,29,30)