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

Systemtic Name: 2-[3-[2-[4-[(3-methyl-4-phenoxy-phenyl)amino]quinazolin-6-yl]ethynyl]piperidin-1-yl]ethanol Openeye Name: 2-[3-[2-[4-(3-methyl-4-phenoxy-anilino)quinazolin-6-yl]ethynyl]-1-piperidyl]ethanol CAS Name: 2-[3-[2-[4-(3-methyl-4-phenoxyanilino)-6-quinazolinyl]ethynyl]-1-piperidinyl]ethanol IUPAC Name: 2-[3-[2-[4-(3-methyl-4-phenoxyanilino)quinazolin-6-yl]ethynyl]piperidin-1-yl]ethanol Traditional Name: 2-[3-[2-[4-(3-methyl-4-phenoxy-anilino)quinazolin-6-yl]ethynyl]piperidino]ethanol Formula: C30H30N4O2 MolecularWeight: 478.5848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC2=NC=NC3=C2C=C(C=C3)C#CC4CCCN(C4)CCO)OC5=CC=CC=C5

Isomeric SMILES

CC1=C(C=CC(=C1)NC2=NC=NC3=C2C=C(C=C3)C#CC4CCCN(C4)CCO)OC5=CC=CC=C5

InChI

InChI=1S/C30H30N4O2/c1-22-18-25(12-14-29(22)36-26-7-3-2-4-8-26)33-30-27-19-23(11-13-28(27)31-21-32-30)9-10-24-6-5-15-34(20-24)16-17-35/h2-4,7-8,11-14,18-19,21,24,35H,5-6,15-17,20H2,1H3,(H,31,32,33)