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

Systemtic Name: 4-[(2S)-2-azanyl-3-[(3S)-3-(5-methyl-4-phenyl-1H-imidazol-2-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-3-oxidanylidene-propyl]benzamide Openeye Name: 4-[(2S)-2-amino-3-[(3S)-3-(5-methyl-4-phenyl-1H-imidazol-2-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-3-oxo-propyl]benzamide CAS Name: 4-[(2S)-2-amino-3-[(3S)-3-(5-methyl-4-phenyl-1H-imidazol-2-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-3-oxopropyl]benzamide IUPAC Name: 4-[(2S)-2-amino-3-[(3S)-3-(5-methyl-4-phenyl-1H-imidazol-2-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-3-oxopropyl]benzamide Traditional Name: 4-[(2S)-2-amino-3-keto-3-[(3S)-3-(5-methyl-4-phenyl-1H-imidazol-2-yl)-3,4-dihydro-1H-isoquinolin-2-yl]propyl]benzamide Formula: C29H29N5O2 MolecularWeight: 479.57286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N1)C2CC3=CC=CC=C3CN2C(=O)C(CC4=CC=C(C=C4)C(=O)N)N)C5=CC=CC=C5

Isomeric SMILES

CC1=C(N=C(N1)[C@@H]2CC3=CC=CC=C3CN2C(=O)[C@H](CC4=CC=C(C=C4)C(=O)N)N)C5=CC=CC=C5

InChI

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