(3S)-3-azanyl-4-(1H-imidazol-5-yl)-1-(4-phenoxyphenyl)butan-2-one hydrochloride

Systemtic Name: (3S)-3-azanyl-4-(1H-imidazol-5-yl)-1-(4-phenoxyphenyl)butan-2-one hydrochloride Openeye Name: (3S)-3-amino-4-(1H-imidazol-5-yl)-1-(4-phenoxyphenyl)butan-2-one hydrochloride CAS Name: (3S)-3-amino-4-(1H-imidazol-5-yl)-1-(4-phenoxyphenyl)-2-butanone hydrochloride IUPAC Name: (3S)-3-amino-4-(1H-imidazol-5-yl)-1-(4-phenoxyphenyl)butan-2-one hydrochloride Traditional Name: (3S)-3-amino-4-(1H-imidazol-5-yl)-1-(4-phenoxyphenyl)butan-2-one hydrochloride Formula: C19H20ClN3O2 MolecularWeight: 357.834

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=C(C=C2)CC(=O)C(CC3=CN=CN3)N.Cl

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=C(C=C2)CC(=O)[C@H](CC3=CN=CN3)N.Cl

InChI

InChI=1S/C19H19N3O2.ClH/c20-18(11-15-12-21-13-22-15)19(23)10-14-6-8-17(9-7-14)24-16-4-2-1-3-5-16;/h1-9,12-13,18H,10-11,20H2,(H,21,22);1H/t18-;/m0./s1