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

Systemtic Name: 3-[2-[4-[(3-ethyl-4-phenoxy-phenyl)amino]quinazolin-6-yl]ethynyl]piperidin-3-ol Openeye Name: 3-[2-[4-(3-ethyl-4-phenoxy-anilino)quinazolin-6-yl]ethynyl]piperidin-3-ol CAS Name: 3-[2-[4-(3-ethyl-4-phenoxyanilino)-6-quinazolinyl]ethynyl]-3-piperidinol IUPAC Name: 3-[2-[4-(3-ethyl-4-phenoxyanilino)quinazolin-6-yl]ethynyl]piperidin-3-ol Traditional Name: 3-[2-[4-(3-ethyl-4-phenoxy-anilino)quinazolin-6-yl]ethynyl]piperidin-3-ol Formula: C29H28N4O2 MolecularWeight: 464.55822

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)NC2=NC=NC3=C2C=C(C=C3)C#CC4(CCCNC4)O)OC5=CC=CC=C5

Isomeric SMILES

CCC1=C(C=CC(=C1)NC2=NC=NC3=C2C=C(C=C3)C#CC4(CCCNC4)O)OC5=CC=CC=C5

InChI

InChI=1S/C29H28N4O2/c1-2-22-18-23(10-12-27(22)35-24-7-4-3-5-8-24)33-28-25-17-21(9-11-26(25)31-20-32-28)13-15-29(34)14-6-16-30-19-29/h3-5,7-12,17-18,20,30,34H,2,6,14,16,19H2,1H3,(H,31,32,33)