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

Systemtic Name: 1-methyl-4-[2-[4-[(3-methyl-4-phenoxy-phenyl)amino]quinazolin-6-yl]ethynyl]piperidin-4-ol Openeye Name: 1-methyl-4-[2-[4-(3-methyl-4-phenoxy-anilino)quinazolin-6-yl]ethynyl]piperidin-4-ol CAS Name: 1-methyl-4-[2-[4-(3-methyl-4-phenoxyanilino)-6-quinazolinyl]ethynyl]-4-piperidinol IUPAC Name: 1-methyl-4-[2-[4-(3-methyl-4-phenoxyanilino)quinazolin-6-yl]ethynyl]piperidin-4-ol Traditional Name: 1-methyl-4-[2-[4-(3-methyl-4-phenoxy-anilino)quinazolin-6-yl]ethynyl]piperidin-4-ol Formula: C29H28N4O2 MolecularWeight: 464.55822

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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