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

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]-N-methyl-benzamide 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]-N-methyl-benzamide 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]-N-methylbenzamide 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]-N-methylbenzamide 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]-N-methyl-benzamide Formula: C29H29N5O2 MolecularWeight: 479.57286

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=CC=C(C=C1)CC(C(=O)N2CC3=CC=CC=C3CC2C4=NC=C(N4)C5=CC=CC=C5)N

Isomeric SMILES

CNC(=O)C1=CC=C(C=C1)C[C@@H](C(=O)N2CC3=CC=CC=C3C[C@H]2C4=NC=C(N4)C5=CC=CC=C5)N

InChI

InChI=1S/C29H29N5O2/c1-31-28(35)21-13-11-19(12-14-21)15-24(30)29(36)34-18-23-10-6-5-9-22(23)16-26(34)27-32-17-25(33-27)20-7-3-2-4-8-20/h2-14,17,24,26H,15-16,18,30H2,1H3,(H,31,35)(H,32,33)/t24-,26-/m0/s1