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

Systemtic Name: 1-methyl-4-[2-[4-[[4-(phenylmethyl)phenyl]amino]quinazolin-6-yl]ethynyl]piperidin-4-ol Openeye Name: 4-[2-[4-(4-benzylanilino)quinazolin-6-yl]ethynyl]-1-methyl-piperidin-4-ol CAS Name: 1-methyl-4-[2-[4-[4-(phenylmethyl)anilino]-6-quinazolinyl]ethynyl]-4-piperidinol IUPAC Name: 4-[2-[4-(4-benzylanilino)quinazolin-6-yl]ethynyl]-1-methylpiperidin-4-ol Traditional Name: 4-[2-[4-(4-benzylanilino)quinazolin-6-yl]ethynyl]-1-methyl-piperidin-4-ol Formula: C29H28N4O MolecularWeight: 448.55882

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)(C#CC2=CC3=C(C=C2)N=CN=C3NC4=CC=C(C=C4)CC5=CC=CC=C5)O

Isomeric SMILES

CN1CCC(CC1)(C#CC2=CC3=C(C=C2)N=CN=C3NC4=CC=C(C=C4)CC5=CC=CC=C5)O

InChI

InChI=1S/C29H28N4O/c1-33-17-15-29(34,16-18-33)14-13-24-9-12-27-26(20-24)28(31-21-30-27)32-25-10-7-23(8-11-25)19-22-5-3-2-4-6-22/h2-12,20-21,34H,15-19H2,1H3,(H,30,31,32)