(3S)-3-azanyl-4-(1H-imidazol-5-yl)-1-[4-(2-phenylethynyl)phenyl]butan-2-one

Systemtic Name: (3S)-3-azanyl-4-(1H-imidazol-5-yl)-1-[4-(2-phenylethynyl)phenyl]butan-2-one Openeye Name: (3S)-3-amino-4-(1H-imidazol-5-yl)-1-[4-(2-phenylethynyl)phenyl]butan-2-one CAS Name: (3S)-3-amino-4-(1H-imidazol-5-yl)-1-[4-(2-phenylethynyl)phenyl]-2-butanone IUPAC Name: (3S)-3-amino-4-(1H-imidazol-5-yl)-1-[4-(2-phenylethynyl)phenyl]butan-2-one Traditional Name: (3S)-3-amino-4-(1H-imidazol-5-yl)-1-[4-(2-phenylethynyl)phenyl]butan-2-one Formula: C21H19N3O MolecularWeight: 329.39506

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C#CC2=CC=C(C=C2)CC(=O)C(CC3=CN=CN3)N

Isomeric SMILES

C1=CC=C(C=C1)C#CC2=CC=C(C=C2)CC(=O)[C@H](CC3=CN=CN3)N

InChI

InChI=1S/C21H19N3O/c22-20(13-19-14-23-15-24-19)21(25)12-18-10-8-17(9-11-18)7-6-16-4-2-1-3-5-16/h1-5,8-11,14-15,20H,12-13,22H2,(H,23,24)/t20-/m0/s1