(3R,4R)-4-azanyl-1-[[4-[(3-ethynylphenyl)amino]quinazolin-5-yl]methyl]piperidin-3-ol

Systemtic Name: (3R,4R)-4-azanyl-1-[[4-[(3-ethynylphenyl)amino]quinazolin-5-yl]methyl]piperidin-3-ol Openeye Name: (3R,4R)-4-amino-1-[[4-(3-ethynylanilino)quinazolin-5-yl]methyl]piperidin-3-ol CAS Name: (3R,4R)-4-amino-1-[[4-(3-ethynylanilino)-5-quinazolinyl]methyl]-3-piperidinol IUPAC Name: (3R,4R)-4-amino-1-[[4-(3-ethynylanilino)quinazolin-5-yl]methyl]piperidin-3-ol Traditional Name: (3R,4R)-4-amino-1-[[4-(3-ethynylanilino)quinazolin-5-yl]methyl]piperidin-3-ol Formula: C22H23N5O MolecularWeight: 373.45092

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=CC=C1)NC2=NC=NC3=CC=CC(=C32)CN4CCC(C(C4)O)N

Isomeric SMILES

C#CC1=CC(=CC=C1)NC2=NC=NC3=CC=CC(=C32)CN4CC[C@H]([C@@H](C4)O)N

InChI

InChI=1S/C22H23N5O/c1-2-15-5-3-7-17(11-15)26-22-21-16(6-4-8-19(21)24-14-25-22)12-27-10-9-18(23)20(28)13-27/h1,3-8,11,14,18,20,28H,9-10,12-13,23H2,(H,24,25,26)/t18-,20-/m1/s1