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

Systemtic Name: [(3R,4R)-4-azanyl-1-[[4-[(3-ethynylphenyl)amino]quinazolin-5-yl]methyl]piperidin-3-yl]methanol Openeye Name: [(3R,4R)-4-amino-1-[[4-(3-ethynylanilino)quinazolin-5-yl]methyl]-3-piperidyl]methanol CAS Name: [(3R,4R)-4-amino-1-[[4-(3-ethynylanilino)-5-quinazolinyl]methyl]-3-piperidinyl]methanol IUPAC Name: [(3R,4R)-4-amino-1-[[4-(3-ethynylanilino)quinazolin-5-yl]methyl]piperidin-3-yl]methanol Traditional Name: [(3R,4R)-4-amino-1-[[4-(3-ethynylanilino)quinazolin-5-yl]methyl]-3-piperidyl]methanol Formula: C23H25N5O MolecularWeight: 387.4775

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25N5O/c1-2-16-5-3-7-19(11-16)27-23-22-17(6-4-8-21(22)25-15-26-23)12-28-10-9-20(24)18(13-28)14-29/h1,3-8,11,15,18,20,29H,9-10,12-14,24H2,(H,25,26,27)/t18-,20+/m0/s1