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

Systemtic Name: (3S)-3-azanyl-4-(1H-imidazol-5-yl)-1-(4-phenylmethoxyphenyl)butan-2-one hydrochloride Openeye Name: (3S)-3-amino-1-(4-benzyloxyphenyl)-4-(1H-imidazol-5-yl)butan-2-one hydrochloride CAS Name: (3S)-3-amino-4-(1H-imidazol-5-yl)-1-(4-phenylmethoxyphenyl)-2-butanone hydrochloride IUPAC Name: (3S)-3-amino-4-(1H-imidazol-5-yl)-1-(4-phenylmethoxyphenyl)butan-2-one hydrochloride Traditional Name: (3S)-3-amino-1-(4-benzoxyphenyl)-4-(1H-imidazol-5-yl)butan-2-one hydrochloride Formula: C20H22ClN3O2 MolecularWeight: 371.86058

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=C(C=C2)CC(=O)C(CC3=CN=CN3)N.Cl

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)CC(=O)[C@H](CC3=CN=CN3)N.Cl

InChI

InChI=1S/C20H21N3O2.ClH/c21-19(11-17-12-22-14-23-17)20(24)10-15-6-8-18(9-7-15)25-13-16-4-2-1-3-5-16;/h1-9,12,14,19H,10-11,13,21H2,(H,22,23);1H/t19-;/m0./s1