3-[2-[4-[(3-methyl-4-pyridin-3-yloxy-phenyl)amino]-4H-quinazolin-1-yl]ethynyl]piperidin-3-ol

Systemtic Name: 3-[2-[4-[(3-methyl-4-pyridin-3-yloxy-phenyl)amino]-4H-quinazolin-1-yl]ethynyl]piperidin-3-ol Openeye Name: 3-[2-[4-[3-methyl-4-(3-pyridyloxy)anilino]-4H-quinazolin-1-yl]ethynyl]piperidin-3-ol CAS Name: 3-[2-[4-[3-methyl-4-(3-pyridinyloxy)anilino]-4H-quinazolin-1-yl]ethynyl]-3-piperidinol IUPAC Name: 3-[2-[4-(3-methyl-4-pyridin-3-yloxyanilino)-4H-quinazolin-1-yl]ethynyl]piperidin-3-ol Traditional Name: 3-[2-[4-[3-methyl-4-(3-pyridyloxy)anilino]-4H-quinazolin-1-yl]ethynyl]piperidin-3-ol Formula: C27H27N5O2 MolecularWeight: 453.53558

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC2C3=CC=CC=C3N(C=N2)C#CC4(CCCNC4)O)OC5=CN=CC=C5

Isomeric SMILES

CC1=C(C=CC(=C1)NC2C3=CC=CC=C3N(C=N2)C#CC4(CCCNC4)O)OC5=CN=CC=C5

InChI

InChI=1S/C27H27N5O2/c1-20-16-21(9-10-25(20)34-22-6-4-13-28-17-22)31-26-23-7-2-3-8-24(23)32(19-30-26)15-12-27(33)11-5-14-29-18-27/h2-4,6-10,13,16-17,19,26,29,31,33H,5,11,14,18H2,1H3