2-azanyl-1-[2-[4-[(3-methoxy-4-phenoxy-phenyl)amino]quinazolin-6-yl]ethynyl]cyclohexan-1-ol

Systemtic Name: 2-azanyl-1-[2-[4-[(3-methoxy-4-phenoxy-phenyl)amino]quinazolin-6-yl]ethynyl]cyclohexan-1-ol Openeye Name: 2-amino-1-[2-[4-(3-methoxy-4-phenoxy-anilino)quinazolin-6-yl]ethynyl]cyclohexanol CAS Name: 2-amino-1-[2-[4-(3-methoxy-4-phenoxyanilino)-6-quinazolinyl]ethynyl]-1-cyclohexanol IUPAC Name: 2-amino-1-[2-[4-(3-methoxy-4-phenoxyanilino)quinazolin-6-yl]ethynyl]cyclohexan-1-ol Traditional Name: 2-amino-1-[2-[4-(3-methoxy-4-phenoxy-anilino)quinazolin-6-yl]ethynyl]cyclohexanol Formula: C29H28N4O3 MolecularWeight: 480.55762

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)NC2=NC=NC3=C2C=C(C=C3)C#CC4(CCCCC4N)O)OC5=CC=CC=C5

Isomeric SMILES

COC1=C(C=CC(=C1)NC2=NC=NC3=C2C=C(C=C3)C#CC4(CCCCC4N)O)OC5=CC=CC=C5

InChI

InChI=1S/C29H28N4O3/c1-35-26-18-21(11-13-25(26)36-22-7-3-2-4-8-22)33-28-23-17-20(10-12-24(23)31-19-32-28)14-16-29(34)15-6-5-9-27(29)30/h2-4,7-8,10-13,17-19,27,34H,5-6,9,15,30H2,1H3,(H,31,32,33)