3-[2-[4-[(4-phenylazanylphenyl)amino]quinazolin-6-yl]ethynyl]piperidin-3-ol

Systemtic Name: 3-[2-[4-[(4-phenylazanylphenyl)amino]quinazolin-6-yl]ethynyl]piperidin-3-ol Openeye Name: 3-[2-[4-(4-anilinoanilino)quinazolin-6-yl]ethynyl]piperidin-3-ol CAS Name: 3-[2-[4-(4-anilinoanilino)-6-quinazolinyl]ethynyl]-3-piperidinol IUPAC Name: 3-[2-[4-(4-anilinoanilino)quinazolin-6-yl]ethynyl]piperidin-3-ol Traditional Name: 3-[2-[4-(4-anilinoanilino)quinazolin-6-yl]ethynyl]piperidin-3-ol Formula: C27H25N5O MolecularWeight: 435.5203

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CNC1)(C#CC2=CC3=C(C=C2)N=CN=C3NC4=CC=C(C=C4)NC5=CC=CC=C5)O

Isomeric SMILES

C1CC(CNC1)(C#CC2=CC3=C(C=C2)N=CN=C3NC4=CC=C(C=C4)NC5=CC=CC=C5)O

InChI

InChI=1S/C27H25N5O/c33-27(14-4-16-28-18-27)15-13-20-7-12-25-24(17-20)26(30-19-29-25)32-23-10-8-22(9-11-23)31-21-5-2-1-3-6-21/h1-3,5-12,17,19,28,31,33H,4,14,16,18H2,(H,29,30,32)