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

Systemtic Name: 3-[2-[4-[[4-(3-methoxyphenoxy)-3-methyl-phenyl]amino]quinazolin-6-yl]ethynyl]piperidin-3-ol Openeye Name: 3-[2-[4-[4-(3-methoxyphenoxy)-3-methyl-anilino]quinazolin-6-yl]ethynyl]piperidin-3-ol CAS Name: 3-[2-[4-[4-(3-methoxyphenoxy)-3-methylanilino]-6-quinazolinyl]ethynyl]-3-piperidinol IUPAC Name: 3-[2-[4-[4-(3-methoxyphenoxy)-3-methylanilino]quinazolin-6-yl]ethynyl]piperidin-3-ol Traditional Name: 3-[2-[4-[4-(3-methoxyphenoxy)-3-methyl-anilino]quinazolin-6-yl]ethynyl]piperidin-3-ol Formula: C29H28N4O3 MolecularWeight: 480.55762

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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)OC5=CC(=CC=C5)OC

Isomeric SMILES

CC1=C(C=CC(=C1)NC2=NC=NC3=C2C=C(C=C3)C#CC4(CCCNC4)O)OC5=CC(=CC=C5)OC

InChI

InChI=1S/C29H28N4O3/c1-20-15-22(8-10-27(20)36-24-6-3-5-23(17-24)35-2)33-28-25-16-21(7-9-26(25)31-19-32-28)11-13-29(34)12-4-14-30-18-29/h3,5-10,15-17,19,30,34H,4,12,14,18H2,1-2H3,(H,31,32,33)