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

Systemtic Name: 3-[2-[4-[[3-methyl-4-(phenylmethyl)phenyl]amino]quinazolin-6-yl]ethynyl]piperidin-3-ol Openeye Name: 3-[2-[4-(4-benzyl-3-methyl-anilino)quinazolin-6-yl]ethynyl]piperidin-3-ol CAS Name: 3-[2-[4-[3-methyl-4-(phenylmethyl)anilino]-6-quinazolinyl]ethynyl]-3-piperidinol IUPAC Name: 3-[2-[4-(4-benzyl-3-methylanilino)quinazolin-6-yl]ethynyl]piperidin-3-ol Traditional Name: 3-[2-[4-(4-benzyl-3-methyl-anilino)quinazolin-6-yl]ethynyl]piperidin-3-ol Formula: C29H28N4O MolecularWeight: 448.55882

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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)CC5=CC=CC=C5

Isomeric SMILES

CC1=C(C=CC(=C1)NC2=NC=NC3=C2C=C(C=C3)C#CC4(CCCNC4)O)CC5=CC=CC=C5

InChI

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