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

Systemtic Name: 3-[2-[4-[[3-methyl-4-(3-methylphenoxy)phenyl]amino]quinazolin-6-yl]ethynyl]piperidin-3-ol Openeye Name: 3-[2-[4-[3-methyl-4-(3-methylphenoxy)anilino]quinazolin-6-yl]ethynyl]piperidin-3-ol CAS Name: 3-[2-[4-[3-methyl-4-(3-methylphenoxy)anilino]-6-quinazolinyl]ethynyl]-3-piperidinol IUPAC Name: 3-[2-[4-[3-methyl-4-(3-methylphenoxy)anilino]quinazolin-6-yl]ethynyl]piperidin-3-ol Traditional Name: 3-[2-[4-[3-methyl-4-(3-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(=CC=C1)OC2=C(C=C(C=C2)NC3=NC=NC4=C3C=C(C=C4)C#CC5(CCCNC5)O)C

Isomeric SMILES

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

InChI

InChI=1S/C29H28N4O2/c1-20-5-3-6-24(15-20)35-27-10-8-23(16-21(27)2)33-28-25-17-22(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)