4-[(2S)-2-azanyl-3-oxidanylidene-3-[(3S)-3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-1H-isoquinolin-2-yl]propyl]benzenecarbonitrile

Systemtic Name: 4-[(2S)-2-azanyl-3-oxidanylidene-3-[(3S)-3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-1H-isoquinolin-2-yl]propyl]benzenecarbonitrile Openeye Name: 4-[(2S)-2-amino-3-oxo-3-[(3S)-3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-1H-isoquinolin-2-yl]propyl]benzonitrile CAS Name: 4-[(2S)-2-amino-3-oxo-3-[(3S)-3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-1H-isoquinolin-2-yl]propyl]benzonitrile IUPAC Name: 4-[(2S)-2-amino-3-oxo-3-[(3S)-3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-1H-isoquinolin-2-yl]propyl]benzonitrile Traditional Name: 4-[(2S)-2-amino-3-keto-3-[(3S)-3-(5-phenyl-1H-imidazol-2-yl)-3,4-dihydro-1H-isoquinolin-2-yl]propyl]benzonitrile Formula: C28H25N5O MolecularWeight: 447.531

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=CC=CC=C21)C(=O)C(CC3=CC=C(C=C3)C#N)N)C4=NC=C(N4)C5=CC=CC=C5

Isomeric SMILES

C1[C@H](N(CC2=CC=CC=C21)C(=O)[C@H](CC3=CC=C(C=C3)C#N)N)C4=NC=C(N4)C5=CC=CC=C5

InChI

InChI=1S/C28H25N5O/c29-16-20-12-10-19(11-13-20)14-24(30)28(34)33-18-23-9-5-4-8-22(23)15-26(33)27-31-17-25(32-27)21-6-2-1-3-7-21/h1-13,17,24,26H,14-15,18,30H2,(H,31,32)/t24-,26-/m0/s1