2-azanyl-3-(4-hydroxyphenyl)-N-[(E)-5-methyl-1-quinolin-2-yl-hex-1-en-3-yl]propanamide trihydrochloride

Systemtic Name: 2-azanyl-3-(4-hydroxyphenyl)-N-[(E)-5-methyl-1-quinolin-2-yl-hex-1-en-3-yl]propanamide trihydrochloride Openeye Name: 2-amino-3-(4-hydroxyphenyl)-N-[3-methyl-1-[(E)-2-(2-quinolyl)vinyl]butyl]propanamide trihydrochloride CAS Name: 2-amino-3-(4-hydroxyphenyl)-N-[(E)-5-methyl-1-(2-quinolinyl)hex-1-en-3-yl]propanamide trihydrochloride IUPAC Name: 2-amino-3-(4-hydroxyphenyl)-N-[(E)-5-methyl-1-quinolin-2-ylhex-1-en-3-yl]propanamide trihydrochloride Traditional Name: 2-amino-3-(4-hydroxyphenyl)-N-[(E)-1-isobutyl-3-(2-quinolyl)allyl]propionamide trihydrochloride Formula: C25H32Cl3N3O2 MolecularWeight: 512.89948

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C=CC1=NC2=CC=CC=C2C=C1)NC(=O)C(CC3=CC=C(C=C3)O)N.Cl.Cl.Cl

Isomeric SMILES

CC(C)CC(/C=C/C1=NC2=CC=CC=C2C=C1)NC(=O)C(CC3=CC=C(C=C3)O)N.Cl.Cl.Cl

InChI

InChI=1S/C25H29N3O2.3ClH/c1-17(2)15-21(12-11-20-10-9-19-5-3-4-6-24(19)27-20)28-25(30)23(26)16-18-7-13-22(29)14-8-18;;;/h3-14,17,21,23,29H,15-16,26H2,1-2H3,(H,28,30);3*1H/b12-11+;;;