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

Systemtic Name: 3-[2-[4-[(4-cyclopentyloxy-3-methyl-phenyl)amino]quinazolin-6-yl]ethynyl]piperidin-3-ol Openeye Name: 3-[2-[4-[4-(cyclopentoxy)-3-methyl-anilino]quinazolin-6-yl]ethynyl]piperidin-3-ol CAS Name: 3-[2-[4-(4-cyclopentyloxy-3-methylanilino)-6-quinazolinyl]ethynyl]-3-piperidinol IUPAC Name: 3-[2-[4-(4-cyclopentyloxy-3-methylanilino)quinazolin-6-yl]ethynyl]piperidin-3-ol Traditional Name: 3-[2-[4-[4-(cyclopentoxy)-3-methyl-anilino]quinazolin-6-yl]ethynyl]piperidin-3-ol Formula: C27H30N4O2 MolecularWeight: 442.5527

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC2=NC=NC3=C2C=C(C=C3)C#CC4(CCCNC4)O)OC5CCCC5

Isomeric SMILES

CC1=C(C=CC(=C1)NC2=NC=NC3=C2C=C(C=C3)C#CC4(CCCNC4)O)OC5CCCC5

InChI

InChI=1S/C27H30N4O2/c1-19-15-21(8-10-25(19)33-22-5-2-3-6-22)31-26-23-16-20(7-9-24(23)29-18-30-26)11-13-27(32)12-4-14-28-17-27/h7-10,15-16,18,22,28,32H,2-6,12,14,17H2,1H3,(H,29,30,31)