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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OC2=C(C=C(C=C2)NC3=NC=NC4=C3C=C(C=C4)C#CC5(CCCNC5)O)C

Isomeric SMILES

CC1=CC=C(C=C1)OC2=C(C=C(C=C2)NC3=NC=NC4=C3C=C(C=C4)C#CC5(CCCNC5)O)C

InChI

InChI=1S/C29H28N4O2/c1-20-4-8-24(9-5-20)35-27-11-7-23(16-21(27)2)33-28-25-17-22(6-10-26(25)31-19-32-28)12-14-29(34)13-3-15-30-18-29/h4-11,16-17,19,30,34H,3,13,15,18H2,1-2H3,(H,31,32,33)