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

Systemtic Name: (3S)-3-azanyl-4-(1H-imidazol-5-yl)-1-[4-(4-phenoxyphenyl)phenyl]butan-2-one Openeye Name: (3S)-3-amino-4-(1H-imidazol-5-yl)-1-[4-(4-phenoxyphenyl)phenyl]butan-2-one CAS Name: (3S)-3-amino-4-(1H-imidazol-5-yl)-1-[4-(4-phenoxyphenyl)phenyl]-2-butanone IUPAC Name: (3S)-3-amino-4-(1H-imidazol-5-yl)-1-[4-(4-phenoxyphenyl)phenyl]butan-2-one Traditional Name: (3S)-3-amino-4-(1H-imidazol-5-yl)-1-[4-(4-phenoxyphenyl)phenyl]butan-2-one Formula: C25H23N3O2 MolecularWeight: 397.46902

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=C(C=C2)C3=CC=C(C=C3)CC(=O)C(CC4=CN=CN4)N

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=C(C=C2)C3=CC=C(C=C3)CC(=O)[C@H](CC4=CN=CN4)N

InChI

InChI=1S/C25H23N3O2/c26-24(15-21-16-27-17-28-21)25(29)14-18-6-8-19(9-7-18)20-10-12-23(13-11-20)30-22-4-2-1-3-5-22/h1-13,16-17,24H,14-15,26H2,(H,27,28)/t24-/m0/s1